CID 25219413

2138235-97-7

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC1=CNC(=C(C1=O)C)CN

InChI

InChI=1S/C8H12N2O/c1-5-4-10-7(3-9)6(2)8(5)11/h4H,3,9H2,1-2H3,(H,10,11)

InChIKey

FRFBKMMQVOHTOP-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3,5-dimethyl-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 152.09496 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]+	153.102236	130.9
[M+Na]+	175.084178	140.6
[M-H]-	151.087684	132.3
[M+NH4]+	170.128783	150.4
[M+K]+	191.058118	137.4
[M+H-H2O]+	135.092220	125.1
[M+HCOO]-	197.093161	153.8
[M+CH3COO]-	211.108811	177.2
[M+Na-2H]-	173.069626	136.2
[M]+	152.09441142	129.2
[M]-	152.09550858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe