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

20
Patents

134.04802 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 122.4
[M+Na]+ 157.037238 133.4
[M-H]- 133.040744 122.6
[M+NH4]+ 152.081843 143.5
[M+K]+ 173.011178 129.6
[M+H-H2O]+ 117.045280 116.4
[M+HCOO]- 179.046221 144.5
[M+CH3COO]- 193.061871 136.7
[M+Na-2H]- 155.022686 131.8
[M]+ 134.04747142 121.9
[M]- 134.04856858 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