CID 221810

N-(4-methylphenyl)butanamide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCCC(=O)NC1=CC=C(C=C1)C

InChI

InChI=1S/C11H15NO/c1-3-4-11(13)12-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,12,13)

InChIKey

KQPVRCMWSSRUKH-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 177.11537 Da
Monoisotopic Mass: 2.4
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	140.1
[M+Na]+	200.10459	152.0
[M+NH4]+	195.14919	148.5
[M+K]+	216.07853	145.2
[M-H]-	176.10809	142.8
[M+Na-2H]-	198.09004	146.9
[M]+	177.11482	142.4
[M]-	177.11592	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe