CID 13295732

4-amino-5-methylpyridin-2(1h)-one

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CNC(=O)C=C1N
InChI
InChI=1S/C6H8N2O/c1-4-3-8-6(9)2-5(4)7/h2-3H,1H3,(H3,7,8,9)
InChIKey
SSQZBQXJYGNUSC-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

124.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 121.8
[M+Na]+ 147.05288 131.5
[M-H]- 123.05638 123.2
[M+NH4]+ 142.09748 142.1
[M+K]+ 163.02682 128.7
[M+H-H2O]+ 107.06092 116.2
[M+HCOO]- 169.06186 145.4
[M+CH3COO]- 183.07751 169.8
[M+Na-2H]- 145.03833 129.0
[M]+ 124.06311 119.1
[M]- 124.06421 119.1
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