CID 572935

102675-58-1

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1=CC(=O)N(C=C1)CCCN
InChI
InChI=1S/C8H12N2O/c9-5-3-7-10-6-2-1-4-8(10)11/h1-2,4,6H,3,5,7,9H2
InChIKey
FMSYLYHUWPAOIM-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

152.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.7
[M+Na]+ 175.08418 143.1
[M+NH4]+ 170.12878 138.8
[M+K]+ 191.05812 136.7
[M-H]- 151.08768 132.7
[M+Na-2H]- 173.06963 137.7
[M]+ 152.09441 132.8
[M]- 152.09551 132.8
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