CID 296328

Nsc166404

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC1=C(N=CC=C1)NC(=O)CC(=O)C

InChI

InChI=1S/C10H12N2O2/c1-7-4-3-5-11-10(7)12-9(14)6-8(2)13/h3-5H,6H2,1-2H3,(H,11,12,14)

InChIKey

VEHGQEGILVGGNB-UHFFFAOYSA-N

Compound name

N-(3-methyl-2-pyridinyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 Da
Monoisotopic Mass: 1.1
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]+	193.097146	141.3
[M+Na]+	215.079088	148.4
[M-H]-	191.082594	143.7
[M+NH4]+	210.123693	159.2
[M+K]+	231.053028	146.9
[M+H-H2O]+	175.087130	134.4
[M+HCOO]-	237.088071	164.2
[M+CH3COO]-	251.103721	186.3
[M+Na-2H]-	213.064536	146.2
[M]+	192.08932142	141.8
[M]-	192.09041858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe