CID 52156

73680-86-1

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CC(C)CC1(CNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO/c1-10(2)8-13(9-14-12(13)15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15)

InChIKey

ADKRWAYGCRCYDW-UHFFFAOYSA-N

Compound name

3-(2-methylpropyl)-3-phenylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.13101 Da
Monoisotopic Mass: 2.5
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]+	204.13829	147.8
[M+Na]+	226.12023	153.5
[M-H]-	202.12373	151.6
[M+NH4]+	221.16483	160.4
[M+K]+	242.09417	153.2
[M+H-H2O]+	186.12827	136.6
[M+HCOO]-	248.12921	166.0
[M+CH3COO]-	262.14486	187.5
[M+Na-2H]-	224.10568	152.1
[M]+	203.13046	154.4
[M]-	203.13156	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe