CID 3296119

7-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=C2C(=CC=C1)C=C(N2)C(=O)O
InChI
InChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(10(12)13)11-9(6)7/h2-5,11H,1H3,(H,12,13)
InChIKey
OLNYNTKNRVFVBI-UHFFFAOYSA-N
Compound name
7-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

175.06332 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.2
[M+Na]+ 198.05254 144.6
[M-H]- 174.05604 135.9
[M+NH4]+ 193.09714 155.1
[M+K]+ 214.02648 140.7
[M+H-H2O]+ 158.06058 128.9
[M+HCOO]- 220.06152 156.0
[M+CH3COO]- 234.07717 175.3
[M+Na-2H]- 196.03799 140.1
[M]+ 175.06277 134.7
[M]- 175.06387 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe