CID 22612670

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

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC2=C(C=C(N2)C(=O)O)N=C1
InChI
InChI=1S/C8H6N2O2/c11-8(12)7-4-6-5(10-7)2-1-3-9-6/h1-4,10H,(H,11,12)
InChIKey
KBHQUFPZXCNYKN-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

162.04292 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 129.7
[M+Na]+ 185.032138 139.9
[M-H]- 161.035644 129.8
[M+NH4]+ 180.076743 149.3
[M+K]+ 201.006078 136.4
[M+H-H2O]+ 145.040180 123.4
[M+HCOO]- 207.041121 150.7
[M+CH3COO]- 221.056771 143.2
[M+Na-2H]- 183.017586 137.2
[M]+ 162.04237142 129.5
[M]- 162.04346858 129.5
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