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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.062926	131.2
[M+Na]+	200.044868	139.1
[M-H]-	176.048374	133.6
[M+NH4]+	195.089473	146.7
[M+K]+	216.018808	140.2
[M+H-H2O]+	160.052910	122.8
[M+HCOO]-	222.053851	147.2
[M+CH3COO]-	236.069501	182.0
[M+Na-2H]-	198.030316	136.7
[M]+	177.05510142	142.9
[M]-	177.05619858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.