CID 322353

3-amino-2-pyridinol

Structural Information

Molecular Formula
C5H6N2O
SMILES
C1=CNC(=O)C(=C1)N
InChI
InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey
VTSFNCCQCOEPKF-UHFFFAOYSA-N
Compound name
3-amino-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2140
Patents

110.04801 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.055286 117.3
[M+Na]+ 133.037228 126.5
[M-H]- 109.040734 118.5
[M+NH4]+ 128.081833 137.8
[M+K]+ 149.011168 123.9
[M+H-H2O]+ 93.045270 111.7
[M+HCOO]- 155.046211 141.3
[M+CH3COO]- 169.061861 165.6
[M+Na-2H]- 131.022676 125.8
[M]+ 110.04746142 113.8
[M]- 110.04855858 113.8
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