CID 137951723

3,3-bis(chloromethyl)-1-methylazetidin-2-one

Structural Information

Molecular Formula
C6H9Cl2NO
SMILES
CN1CC(C1=O)(CCl)CCl
InChI
InChI=1S/C6H9Cl2NO/c1-9-4-6(2-7,3-8)5(9)10/h2-4H2,1H3
InChIKey
HRFDIZZYNBLUKX-UHFFFAOYSA-N
Compound name
3,3-bis(chloromethyl)-1-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00612 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.013396 124.9
[M+Na]+ 203.995338 134.9
[M-H]- 179.998844 127.0
[M+NH4]+ 199.039943 141.1
[M+K]+ 219.969278 133.6
[M+H-H2O]+ 164.003380 118.0
[M+HCOO]- 226.004321 137.2
[M+CH3COO]- 240.019971 182.8
[M+Na-2H]- 201.980786 131.1
[M]+ 181.00557142 136.5
[M]- 181.00666858 136.5
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

No patent data available for this compound.