CID 137964014

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

Structural Information

Molecular Formula

C₈H₁₄ClNO₂

SMILES

CCN1CC(C1)(CCl)C(=O)OC

InChI

InChI=1S/C8H14ClNO2/c1-3-10-5-8(4-9,6-10)7(11)12-2/h3-6H2,1-2H3

InChIKey

CPJZJZCUFZBYNG-UHFFFAOYSA-N

Compound name

methyl 3-(chloromethyl)-1-ethylazetidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.0713 Da
Monoisotopic Mass: 0.7
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]+	192.078576	135.9
[M+Na]+	214.060518	143.3
[M-H]-	190.064024	138.1
[M+NH4]+	209.105123	150.9
[M+K]+	230.034458	144.2
[M+H-H2O]+	174.068560	127.3
[M+HCOO]-	236.069501	151.5
[M+CH3COO]-	250.085151	184.9
[M+Na-2H]-	212.045966	140.8
[M]+	191.07075142	148.0
[M]-	191.07184858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.