CID 86276996

2503207-00-7

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CC1CN2C=CC(=CC2=O)N

InChI

InChI=1S/C9H12N2O/c10-8-3-4-11(9(12)5-8)6-7-1-2-7/h3-5,7H,1-2,6,10H2

InChIKey

NRWQAICWESUEPT-UHFFFAOYSA-N

Compound name

4-amino-1-(cyclopropylmethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.09496 Da
Monoisotopic Mass: 0.2
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]+	165.10224	134.9
[M+Na]+	187.08418	149.0
[M+NH4]+	182.12878	143.8
[M+K]+	203.05812	144.1
[M-H]-	163.08768	145.1
[M+Na-2H]-	185.06963	145.0
[M]+	164.09441	140.8
[M]-	164.09551	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.