CID 137963808

3-(chloromethyl)-1-ethyl-3-methylazetidin-2-one

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CCN1CC(C1=O)(C)CCl
InChI
InChI=1S/C7H12ClNO/c1-3-9-5-7(2,4-8)6(9)10/h3-5H2,1-2H3
InChIKey
IXPFQUVKMHIBKF-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-ethyl-3-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.06075 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 126.9
[M+Na]+ 184.04997 136.1
[M-H]- 160.05347 129.6
[M+NH4]+ 179.09457 143.5
[M+K]+ 200.02391 136.2
[M+H-H2O]+ 144.05801 119.0
[M+HCOO]- 206.05895 143.6
[M+CH3COO]- 220.07460 181.0
[M+Na-2H]- 182.03542 133.0
[M]+ 161.06020 138.3
[M]- 161.06130 138.3
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.