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 120.0
[M+Na]+ 156.01865 128.6
[M-H]- 132.02215 121.3
[M+NH4]+ 151.06325 136.6
[M+K]+ 171.99259 128.3
[M+H-H2O]+ 116.02669 112.3
[M+HCOO]- 178.02763 135.9
[M+CH3COO]- 192.04328 171.5
[M+Na-2H]- 154.00410 127.2
[M]+ 133.02888 128.4
[M]- 133.02998 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