CID 17098

N-propylacetanilide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCCN(C1=CC=CC=C1)C(=O)C

InChI

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

InChIKey

PREAZHGTUOIWRL-UHFFFAOYSA-N

Compound name

N-phenyl-N-propylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 177.11537 Da
Monoisotopic Mass: 2.2
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	139.8
[M+Na]+	200.10459	145.8
[M-H]-	176.10809	144.6
[M+NH4]+	195.14919	160.3
[M+K]+	216.07853	145.2
[M+H-H2O]+	160.11263	133.4
[M+HCOO]-	222.11357	164.7
[M+CH3COO]-	236.12922	187.0
[M+Na-2H]-	198.09004	145.3
[M]+	177.11482	141.0
[M]-	177.11592	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe