CID 56956224

5h,6h,7h-pyrrolo[3,4-b]pyridin-2-ol hydrochloride

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1C2=C(CN1)NC(=O)C=C2
InChI
InChI=1S/C7H8N2O/c10-7-2-1-5-3-8-4-6(5)9-7/h1-2,8H,3-4H2,(H,9,10)
InChIKey
ZUDFMIXXAWBWBL-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.1
[M+Na]+ 159.05288 134.2
[M-H]- 135.05638 124.5
[M+NH4]+ 154.09748 145.8
[M+K]+ 175.02682 130.3
[M+H-H2O]+ 119.06092 119.0
[M+HCOO]- 181.06186 144.4
[M+CH3COO]- 195.07751 138.2
[M+Na-2H]- 157.03833 132.3
[M]+ 136.06311 120.9
[M]- 136.06421 120.9
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

No patent data available for this compound.