CID 29917

20024-63-9

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CCC1(CNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO/c1-2-11(8-12-10(11)13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)

InChIKey

QKXTXXKOSUMTNX-UHFFFAOYSA-N

Compound name

3-ethyl-3-phenylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 175.09972 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]+	176.106996	136.9
[M+Na]+	198.088938	143.8
[M-H]-	174.092444	141.1
[M+NH4]+	193.133543	150.7
[M+K]+	214.062878	143.5
[M+H-H2O]+	158.096980	126.1
[M+HCOO]-	220.097921	156.8
[M+CH3COO]-	234.113571	180.8
[M+Na-2H]-	196.074386	143.6
[M]+	175.09917142	143.5
[M]-	175.10026858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe