CID 541795

N-methyl-n-acetyl-2-phenylethanamine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(=O)N(C)CCC1=CC=CC=C1

InChI

InChI=1S/C11H15NO/c1-10(13)12(2)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3

InChIKey

VEZIUZPDOIYXLQ-UHFFFAOYSA-N

Compound name

N-methyl-N-(2-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 177.11537 Da
Monoisotopic Mass: 1.7
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	139.8
[M+Na]+	200.104588	145.8
[M-H]-	176.108094	144.6
[M+NH4]+	195.149193	160.3
[M+K]+	216.078528	145.2
[M+H-H2O]+	160.112630	133.4
[M+HCOO]-	222.113571	164.7
[M+CH3COO]-	236.129221	187.0
[M+Na-2H]-	198.090036	145.3
[M]+	177.11482142	141.0
[M]-	177.11591858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe