BB-22 3-Carboxyindole metabolite
4957
Reference
BB-22 3-Carboxyindole metabolite Structure
Systematic / IUPAC Name: 1-(Cyclohexylmethyl)-1H-indole-3-carboxylic acid
ID: Reference4957
Other Names: 1H-Indole-3-carboxylic acid, 1-(cyclohexylmethyl)-
Formula: C16H19NO2
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
BB-22 3-Carboxyindole metabolite mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 215 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/4/2016 8:35:13 AM |
Identificators
| InChI | InChI=1S/C16H19NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,18,19) |
| InChI Key | DKZXRWRMQWNXFR-UHFFFAOYSA-N |
| Canonical SMILES | C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)O |
| CAS | 858515716 |
| Splash | |
| Other Names | 1H-Indole-3-carboxylic acid, 1-(cyclohexylmethyl)- |