CID 7015601

1-methyl-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C10H9NO2
SMILES
CN1C=CC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H9NO2/c1-11-5-4-7-6-8(10(12)13)2-3-9(7)11/h2-6H,1H3,(H,12,13)
InChIKey
UHQAIJFIXCOBCN-UHFFFAOYSA-N
Compound name
1-methylindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

175.06332 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.6
[M+Na]+ 198.05254 144.4
[M-H]- 174.05604 136.6
[M+NH4]+ 193.09714 155.2
[M+K]+ 214.02648 141.4
[M+H-H2O]+ 158.06058 128.0
[M+HCOO]- 220.06152 156.8
[M+CH3COO]- 234.07717 177.8
[M+Na-2H]- 196.03799 139.9
[M]+ 175.06277 135.9
[M]- 175.06387 135.9
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