CID 15179344

1-benzyl-3-(chloromethyl)-3-methylazetidin-2-one

Structural Information

Molecular Formula
C12H14ClNO
SMILES
CC1(CN(C1=O)CC2=CC=CC=C2)CCl
InChI
InChI=1S/C12H14ClNO/c1-12(8-13)9-14(11(12)15)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
HLBMORWTAOTEJH-UHFFFAOYSA-N
Compound name
1-benzyl-3-(chloromethyl)-3-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07639 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.083666 142.4
[M+Na]+ 246.065608 151.2
[M-H]- 222.069114 147.8
[M+NH4]+ 241.110213 156.3
[M+K]+ 262.039548 149.5
[M+H-H2O]+ 206.073650 132.2
[M+HCOO]- 268.074591 159.2
[M+CH3COO]- 282.090241 191.0
[M+Na-2H]- 244.051056 148.3
[M]+ 223.07584142 153.4
[M]- 223.07693858 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.