CID 67124140

1346575-64-1

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CCCC1=C(C(=O)NC(=C1)C)CN

InChI

InChI=1S/C10H16N2O/c1-3-4-8-5-7(2)12-10(13)9(8)6-11/h5H,3-4,6,11H2,1-2H3,(H,12,13)

InChIKey

JBKWKHWTUAUEFI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 180.12627 Da
Monoisotopic Mass: 0.9
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]+	181.133546	140.0
[M+Na]+	203.115488	148.9
[M-H]-	179.118994	141.1
[M+NH4]+	198.160093	158.4
[M+K]+	219.089428	145.2
[M+H-H2O]+	163.123530	133.9
[M+HCOO]-	225.124471	162.3
[M+CH3COO]-	239.140121	183.3
[M+Na-2H]-	201.100936	144.3
[M]+	180.12572142	139.1
[M]-	180.12681858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe