CID 17608812

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

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CN=CC2=C1NC(=C2)C(=O)O
InChI
InChI=1S/C8H6N2O2/c11-8(12)7-3-5-4-9-2-1-6(5)10-7/h1-4,10H,(H,11,12)
InChIKey
ANFOMGVCGLRXAC-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

162.04292 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 129.7
[M+Na]+ 185.03214 139.9
[M-H]- 161.03564 129.8
[M+NH4]+ 180.07674 149.3
[M+K]+ 201.00608 136.4
[M+H-H2O]+ 145.04018 123.4
[M+HCOO]- 207.04112 150.7
[M+CH3COO]- 221.05677 143.2
[M+Na-2H]- 183.01759 137.2
[M]+ 162.04237 129.5
[M]- 162.04347 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