CID 15898

2-azetidinone, 3-ethyl-n-methyl-3-phenyl-

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CCC1(CN(C1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c1-3-12(9-13(2)11(12)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3

InChIKey

MPEXVFWFXHUJME-UHFFFAOYSA-N

Compound name

3-ethyl-1-methyl-3-phenylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 189.11537 Da
Monoisotopic Mass: 1.8
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]+	190.122646	139.5
[M+Na]+	212.104588	147.3
[M-H]-	188.108094	145.2
[M+NH4]+	207.149193	153.8
[M+K]+	228.078528	147.7
[M+H-H2O]+	172.112630	128.6
[M+HCOO]-	234.113571	160.6
[M+CH3COO]-	248.129221	187.4
[M+Na-2H]-	210.090036	145.6
[M]+	189.11482142	148.6
[M]-	189.11591858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe