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]+ 162.068026 126.9
[M+Na]+ 184.049968 136.1
[M-H]- 160.053474 129.6
[M+NH4]+ 179.094573 143.5
[M+K]+ 200.023908 136.2
[M+H-H2O]+ 144.058010 119.0
[M+HCOO]- 206.058951 143.6
[M+CH3COO]- 220.074601 181.0
[M+Na-2H]- 182.035416 133.0
[M]+ 161.06020142 138.3
[M]- 161.06129858 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.