CID 221807

N-benzyl-butyramide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCCC(=O)NCC1=CC=CC=C1

InChI

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

InChIKey

OHWQEBAVEDXXDM-UHFFFAOYSA-N

Compound name

N-benzylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 222
Patents: 177.11537 Da
Monoisotopic Mass: 2.0
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]+	178.122646	140.0
[M+Na]+	200.104588	145.7
[M-H]-	176.108094	143.2
[M+NH4]+	195.149193	159.7
[M+K]+	216.078528	143.7
[M+H-H2O]+	160.112630	133.6
[M+HCOO]-	222.113571	164.4
[M+CH3COO]-	236.129221	183.5
[M+Na-2H]-	198.090036	146.1
[M]+	177.11482142	139.9
[M]-	177.11591858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe