CID 89580666

1438382-15-0

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CC1=CC(=C(C(=O)N1)CN)OC

InChI

InChI=1S/C8H12N2O2/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3H,4,9H2,1-2H3,(H,10,11)

InChIKey

DOEQLKDKJVHZND-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 168.08987 Da
Monoisotopic Mass: -0.3
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]+	169.09715	134.1
[M+Na]+	191.07909	146.1
[M+NH4]+	186.12369	141.2
[M+K]+	207.05303	141.0
[M-H]-	167.08259	135.1
[M+Na-2H]-	189.06454	139.5
[M]+	168.08932	135.8
[M]-	168.09042	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe