CID 56972625

1h-pyrrolo[3,2-c]pyridin-5-ium-5-olate

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CN=C2C1=CN(C=C2)O
InChI
InChI=1S/C7H6N2O/c10-9-4-2-7-6(5-9)1-3-8-7/h1-5,10H
InChIKey
JYGVLKPPZLPOMR-UHFFFAOYSA-N
Compound name
5-hydroxypyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

134.04802 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 123.2
[M+Na]+ 157.03724 133.5
[M-H]- 133.04074 124.3
[M+NH4]+ 152.08184 144.8
[M+K]+ 173.01118 130.8
[M+H-H2O]+ 117.04528 116.8
[M+HCOO]- 179.04622 145.3
[M+CH3COO]- 193.06187 137.5
[M+Na-2H]- 155.02269 131.9
[M]+ 134.04747 123.0
[M]- 134.04857 123.0
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