CID 3159671

2-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)O
InChI
InChI=1S/C10H9NO2/c1-6-9(10(12)13)7-4-2-3-5-8(7)11-6/h2-5,11H,1H3,(H,12,13)
InChIKey
BHFYJMNOBRLYSC-UHFFFAOYSA-N
Compound name
2-methyl-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

175.06332 Da
Monoisotopic Mass

2.0
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

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Patent stripe

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