CID 137971757

2241142-11-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1=CC(=CC=C1CN)C2=CNC(=O)C=C2

InChI

InChI=1S/C12H12N2O/c13-7-9-1-3-10(4-2-9)11-5-6-12(15)14-8-11/h1-6,8H,7,13H2,(H,14,15)

InChIKey

ZJNOJXPRRWZCQS-UHFFFAOYSA-N

Compound name

5-[4-(aminomethyl)phenyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.09496 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]+	201.102236	142.5
[M+Na]+	223.084178	151.0
[M-H]-	199.087684	146.6
[M+NH4]+	218.128783	159.2
[M+K]+	239.058118	145.9
[M+H-H2O]+	183.092220	135.0
[M+HCOO]-	245.093161	165.6
[M+CH3COO]-	259.108811	183.9
[M+Na-2H]-	221.069626	149.2
[M]+	200.09441142	139.4
[M]-	200.09550858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe