CID 10154191

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

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC2=C(NC=C2C(=O)O)N=C1
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)(H,11,12)
InChIKey
KYBIRFFGAIFLPM-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

436
Patents

162.04292 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe