CID 12118

N-phenylhexanamide

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CCCCCC(=O)NC1=CC=CC=C1

InChI

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

InChIKey

JBTCHCWUNMZNEO-UHFFFAOYSA-N

Compound name

N-phenylhexanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 639
Patents: 191.13101 Da
Monoisotopic Mass: 3.3
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]+	192.138286	144.6
[M+Na]+	214.120228	149.9
[M-H]-	190.123734	147.7
[M+NH4]+	209.164833	163.8
[M+K]+	230.094168	147.6
[M+H-H2O]+	174.128270	138.1
[M+HCOO]-	236.129211	168.7
[M+CH3COO]-	250.144861	186.5
[M+Na-2H]-	212.105676	150.2
[M]+	191.13046142	144.9
[M]-	191.13155858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe