CID 67266035

1h-pyrrolo[3,2-b]pyridin-3-ol hydrochloride

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC2=C(C(=CN2)O)N=C1
InChI
InChI=1S/C7H6N2O/c10-6-4-9-5-2-1-3-8-7(5)6/h1-4,9-10H
InChIKey
MTBQSJZUCZMKFM-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-b]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 122.4
[M+Na]+ 157.03724 133.4
[M-H]- 133.04074 122.6
[M+NH4]+ 152.08184 143.5
[M+K]+ 173.01118 129.6
[M+H-H2O]+ 117.04528 116.4
[M+HCOO]- 179.04622 144.5
[M+CH3COO]- 193.06187 136.7
[M+Na-2H]- 155.02269 131.8
[M]+ 134.04747 121.9
[M]- 134.04857 121.9
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