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]+ 224.08367 142.4
[M+Na]+ 246.06561 151.2
[M-H]- 222.06911 147.8
[M+NH4]+ 241.11021 156.3
[M+K]+ 262.03955 149.5
[M+H-H2O]+ 206.07365 132.2
[M+HCOO]- 268.07459 159.2
[M+CH3COO]- 282.09024 191.0
[M+Na-2H]- 244.05106 148.3
[M]+ 223.07584 153.4
[M]- 223.07694 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.