CID 95140

N-isobutylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H15NO/c1-9(2)8-12-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)

InChIKey

ZABMXPJUCKVZSH-UHFFFAOYSA-N

Compound name

N-(2-methylpropyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 224
Patents: 177.11537 Da
Monoisotopic Mass: 2.3
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]+	178.12265	140.4
[M+Na]+	200.10459	145.9
[M-H]-	176.10809	143.8
[M+NH4]+	195.14919	160.1
[M+K]+	216.07853	144.4
[M+H-H2O]+	160.11263	134.2
[M+HCOO]-	222.11357	163.8
[M+CH3COO]-	236.12922	184.4
[M+Na-2H]-	198.09004	145.3
[M]+	177.11482	139.7
[M]-	177.11592	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe