CID 15392

1623-64-9

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

InChI=1S/C10H11NO/c1-10(7-11-9(10)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)

InChIKey

FWRSXKVUCBPVLE-UHFFFAOYSA-N

Compound name

3-methyl-3-phenylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.08406 Da
Monoisotopic Mass: 1.3
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]+	162.09134	132.3
[M+Na]+	184.07328	139.6
[M-H]-	160.07678	136.6
[M+NH4]+	179.11788	146.7
[M+K]+	200.04722	139.6
[M+H-H2O]+	144.08132	121.7
[M+HCOO]-	206.08226	152.6
[M+CH3COO]-	220.09791	177.9
[M+Na-2H]-	182.05873	139.6
[M]+	161.08351	138.5
[M]-	161.08461	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe