CID 15692208

3-amino-1-methyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C6H8N2O
SMILES
CN1C=CC=C(C1=O)N
InChI
InChI=1S/C6H8N2O/c1-8-4-2-3-5(7)6(8)9/h2-4H,7H2,1H3
InChIKey
IHSBTHXDCVIBPF-UHFFFAOYSA-N
Compound name
3-amino-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 120.9
[M+Na]+ 147.05288 131.0
[M-H]- 123.05638 123.8
[M+NH4]+ 142.09748 142.0
[M+K]+ 163.02682 129.2
[M+H-H2O]+ 107.06092 115.1
[M+HCOO]- 169.06186 146.1
[M+CH3COO]- 183.07751 172.4
[M+Na-2H]- 145.03833 128.7
[M]+ 124.06311 120.1
[M]- 124.06421 120.1
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