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: 28
Patents: 152.09496 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.102236	130.5
[M+Na]+	175.084178	139.5
[M-H]-	151.087684	133.1
[M+NH4]+	170.128783	150.3
[M+K]+	191.058118	137.7
[M+H-H2O]+	135.092220	124.3
[M+HCOO]-	197.093161	154.0
[M+CH3COO]-	211.108811	179.4
[M+Na-2H]-	173.069626	135.9
[M]+	152.09441142	129.7
[M]-	152.09550858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe