AB-CHMINACA metabolite M4

Systematic / IUPAC Name: 1-(Cyclohexylmethyl)indazole-3-carboxylic acid

ID: Reference8485

Other Names: 1-(Cyclohexylmethyl)-1H-indazole-3-carboxylic acid

Formula: C15H18N2O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-CHMINACA metabolite M4 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 3
No. of Spectra 1702
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 8:17:58 AM
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Identificators

InChI InChI=1S/C15H18N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19)
InChI Key DVXHKIOGZJHOPD-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)CN2C3=CC=CC=C3C(=N2)C(=O)O
CAS 1271630115
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Other Names 1-(Cyclohexylmethyl)-1H-indazole-3-carboxylic acid

In Other Databases

ChemSpider 32055577
Cayman 16393
PubChem 55177632