CID 68286334

1-methyl-1h-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C=C(C2=C1C=CC=N2)C(=O)O
InChI
InChI=1S/C9H8N2O2/c1-11-5-6(9(12)13)8-7(11)3-2-4-10-8/h2-5H,1H3,(H,12,13)
InChIKey
OOWDXELTICDUGT-UHFFFAOYSA-N
Compound name
1-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.3
[M+Na]+ 199.04780 147.7
[M+NH4]+ 194.09240 142.1
[M+K]+ 215.02174 144.1
[M-H]- 175.05130 134.6
[M+Na-2H]- 197.03325 140.2
[M]+ 176.05803 136.1
[M]- 176.05913 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