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]+ 182.01340 124.9
[M+Na]+ 203.99534 134.9
[M-H]- 179.99884 127.0
[M+NH4]+ 199.03994 141.1
[M+K]+ 219.96928 133.6
[M+H-H2O]+ 164.00338 118.0
[M+HCOO]- 226.00432 137.2
[M+CH3COO]- 240.01997 182.8
[M+Na-2H]- 201.98079 131.1
[M]+ 181.00557 136.5
[M]- 181.00667 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.