CID 3163396

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

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=CC2=C(C=C1)C=C(N2)C(=O)O
InChI
InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(10(12)13)11-8(7)4-6/h2-5,11H,1H3,(H,12,13)
InChIKey
ZKGSVVHFMZASJS-UHFFFAOYSA-N
Compound name
6-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

122
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 134.8
[M+Na]+ 198.05254 147.6
[M+NH4]+ 193.09714 142.9
[M+K]+ 214.02648 143.9
[M-H]- 174.05604 135.4
[M+Na-2H]- 196.03799 140.3
[M]+ 175.06277 136.6
[M]- 175.06387 136.6
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