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]+ 134.03671 120.3
[M+Na]+ 156.01865 127.9
[M+NH4]+ 151.06325 126.2
[M+K]+ 171.99259 122.5
[M-H]- 132.02215 117.9
[M+Na-2H]- 154.00410 124.6
[M]+ 133.02888 119.8
[M]- 133.02998 119.8
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