CID 221401

N-isopropylacetanilide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C

InChI

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

InChIKey

SWDCCXMLXSTSCC-UHFFFAOYSA-N

Compound name

N-phenyl-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 82
Patents: 177.11537 Da
Monoisotopic Mass: 1.6
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]+	178.122646	139.9
[M+Na]+	200.104588	145.6
[M-H]-	176.108094	144.8
[M+NH4]+	195.149193	160.3
[M+K]+	216.078528	145.5
[M+H-H2O]+	160.112630	133.6
[M+HCOO]-	222.113571	163.8
[M+CH3COO]-	236.129221	187.9
[M+Na-2H]-	198.090036	144.1
[M]+	177.11482142	140.5
[M]-	177.11591858	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe