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 131.2
[M+Na]+ 200.04487 139.1
[M-H]- 176.04837 133.6
[M+NH4]+ 195.08947 146.7
[M+K]+ 216.01881 140.2
[M+H-H2O]+ 160.05291 122.8
[M+HCOO]- 222.05385 147.2
[M+CH3COO]- 236.06950 182.0
[M+Na-2H]- 198.03032 136.7
[M]+ 177.05510 142.9
[M]- 177.05620 142.9
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.