CID 82466688

1439900-41-0

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)N1C=CC=C(C1=O)N
InChI
InChI=1S/C8H12N2O/c1-6(2)10-5-3-4-7(9)8(10)11/h3-6H,9H2,1-2H3
InChIKey
DVZCJAGOJOSGPA-UHFFFAOYSA-N
Compound name
3-amino-1-propan-2-ylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

152.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.8
[M+Na]+ 175.08418 143.2
[M+NH4]+ 170.12878 138.8
[M+K]+ 191.05812 137.8
[M-H]- 151.08768 132.6
[M+Na-2H]- 173.06963 137.2
[M]+ 152.09441 132.9
[M]- 152.09551 132.9
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