CID 82501

Valeranilide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCCCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H15NO/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)

InChIKey

PGMBORLSOHYBFJ-UHFFFAOYSA-N

Compound name

N-phenylpentanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 344
Patents: 177.11537 Da
Monoisotopic Mass: 2.6
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	140.5
[M+Na]+	200.10459	152.1
[M+NH4]+	195.14919	149.0
[M+K]+	216.07853	145.1
[M-H]-	176.10809	143.2
[M+Na-2H]-	198.09004	147.5
[M]+	177.11482	142.8
[M]-	177.11592	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe