CID 20114714

5-amino-1-propyl-1,2-dihydropyridin-2-one hydrochloride

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCCN1C=C(C=CC1=O)N
InChI
InChI=1S/C8H12N2O/c1-2-5-10-6-7(9)3-4-8(10)11/h3-4,6H,2,5,9H2,1H3
InChIKey
RILIXEARZBBUON-UHFFFAOYSA-N
Compound name
5-amino-1-propylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

0.3
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+NH4]+ 170.12878 132.7
[M+K]+ 191.05812 150.1
[M-H]- 151.08768 137.1
[M+Na-2H]- 173.06963 123.9
[M]+ 152.09441 154.7
[M]- 152.09551 178.5
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

No patent data available for this compound.