CID 137963818

Methyl 3-(chloromethyl)-1-methylazetidine-3-carboxylate

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
CN1CC(C1)(CCl)C(=O)OC
InChI
InChI=1S/C7H12ClNO2/c1-9-4-7(3-8,5-9)6(10)11-2/h3-5H2,1-2H3
InChIKey
PWLLEZAXFCRSJD-UHFFFAOYSA-N
Compound name
methyl 3-(chloromethyl)-1-methylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05565 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06293 132.7
[M+Na]+ 200.04487 139.6
[M+NH4]+ 195.08947 137.9
[M+K]+ 216.01881 134.7
[M-H]- 176.04837 129.9
[M+Na-2H]- 198.03032 136.1
[M]+ 177.05510 132.0
[M]- 177.05620 132.0
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.