AB-CHMINACA metabolite M5A

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Systematic / IUPAC Name: 1-[(4-Hydroxycyclohexyl)methyl]-1H-indazole-3-carboxylic acid

ID: Reference5936

Other Names: 1H-Indazole-3-carboxylic acid, 1-[(4-hydroxycyclohexyl)methyl]-

Formula: C15H18N2O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-CHMINACA metabolite M5A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS ; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 2300
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 8:11:38 AM
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Identificators

InChI InChI=1S/C15H18N2O3/c18-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(16-17)15(19)20/h1-4,10-11,18H,5-9H2,(H,19,20)
InChI Key XMHBGLQLPWENIV-UHFFFAOYSA-N
Canonical SMILES O=C(O)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3
CAS
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Other Names 1H-Indazole-3-carboxylic acid, 1-[(4-hydroxycyclohexyl)methyl]-

In Other Databases

ChemSpider 32741700