CID 62961590

1-(2-aminoethyl)-4-methyl-1,2-dihydropyridin-2-one dihydrochloride

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=CC(=O)N(C=C1)CCN
InChI
InChI=1S/C8H12N2O/c1-7-2-4-10(5-3-9)8(11)6-7/h2,4,6H,3,5,9H2,1H3
InChIKey
JZLRMVAWTXXWOC-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-4-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

152.09496 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.2
[M+Na]+ 175.08418 139.4
[M-H]- 151.08768 132.7
[M+NH4]+ 170.12878 150.1
[M+K]+ 191.05812 137.1
[M+H-H2O]+ 135.09222 123.9
[M+HCOO]- 197.09316 154.7
[M+CH3COO]- 211.10881 178.5
[M+Na-2H]- 173.06963 136.9
[M]+ 152.09441 130.1
[M]- 152.09551 130.1
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