CID 21197714

4-benzylazetidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1C(NC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C10H11NO/c12-10-7-9(11-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)

InChIKey

XQQADMLPVLHSPI-UHFFFAOYSA-N

Compound name

4-benzylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	131.8
[M+Na]+	184.07328	140.3
[M+NH4]+	179.11788	136.5
[M+K]+	200.04722	135.6
[M-H]-	160.07678	131.9
[M+Na-2H]-	182.05873	137.2
[M]+	161.08351	131.7
[M]-	161.08461	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe