CID 55282111

3-amino-1-methyl-1,4-dihydropyridin-4-one dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

124.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 120.9
[M+Na]+ 147.052878 131.0
[M-H]- 123.056384 123.8
[M+NH4]+ 142.097483 142.0
[M+K]+ 163.026818 129.2
[M+H-H2O]+ 107.060920 115.1
[M+HCOO]- 169.061861 146.1
[M+CH3COO]- 183.077511 172.4
[M+Na-2H]- 145.038326 128.7
[M]+ 124.06311142 120.1
[M]- 124.06420858 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

No literature data available for this compound.

Patent stripe

patents stripe