CID 3118938

N-(1-methylbutyl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CCCC(C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14)

InChIKey

GQISYERWBJFNPY-UHFFFAOYSA-N

Compound name

N-pentan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 41
Patents: 191.13101 Da
Monoisotopic Mass: 2.9
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]+	192.13829	145.2
[M+Na]+	214.12023	156.2
[M+NH4]+	209.16483	153.4
[M+K]+	230.09417	149.8
[M-H]-	190.12373	147.6
[M+Na-2H]-	212.10568	151.6
[M]+	191.13046	147.3
[M]-	191.13156	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe