CID 10329835

1-methyl-7-azaindole-3-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C=C(C2=C1N=CC=C2)C(=O)O
InChI
InChI=1S/C9H8N2O2/c1-11-5-7(9(12)13)6-3-2-4-10-8(6)11/h2-5H,1H3,(H,12,13)
InChIKey
KHIJNUGJNMUEFX-UHFFFAOYSA-N
Compound name
1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

176.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.6
[M+Na]+ 199.047798 144.8
[M-H]- 175.051304 135.4
[M+NH4]+ 194.092403 153.8
[M+K]+ 215.021738 141.9
[M+H-H2O]+ 159.055840 127.2
[M+HCOO]- 221.056781 155.9
[M+CH3COO]- 235.072431 177.6
[M+Na-2H]- 197.033246 140.4
[M]+ 176.05803142 136.1
[M]- 176.05912858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe