CID 13110973

4-(chloromethyl)-4-methylazetidin-2-one

Structural Information

Molecular Formula
C5H8ClNO
SMILES
CC1(CC(=O)N1)CCl
InChI
InChI=1S/C5H8ClNO/c1-5(3-6)2-4(8)7-5/h2-3H2,1H3,(H,7,8)
InChIKey
UCNWLPTZJIVLKT-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-4-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.02943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 120.0
[M+Na]+ 156.018648 128.6
[M-H]- 132.022154 121.3
[M+NH4]+ 151.063253 136.6
[M+K]+ 171.992588 128.3
[M+H-H2O]+ 116.026690 112.3
[M+HCOO]- 178.027631 135.9
[M+CH3COO]- 192.043281 171.5
[M+Na-2H]- 154.004096 127.2
[M]+ 133.02888142 128.4
[M]- 133.02997858 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe