CID 137949902

2172445-88-2

Structural Information

Molecular Formula

C₅H₈ClNO₄S

SMILES

COC(=O)C1CN(C1)S(=O)(=O)Cl

InChI

InChI=1S/C5H8ClNO4S/c1-11-5(8)4-2-7(3-4)12(6,9)10/h4H,2-3H2,1H3

InChIKey

BTAXIPIOPGMSQU-UHFFFAOYSA-N

Compound name

methyl 1-chlorosulfonylazetidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 212.98625 Da
Monoisotopic Mass: -0.1
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]+	213.99353	136.8
[M+Na]+	235.97547	141.9
[M+NH4]+	231.02007	139.2
[M+K]+	251.94941	139.2
[M-H]-	211.97897	132.1
[M+Na-2H]-	233.96092	137.0
[M]+	212.98570	135.4
[M]-	212.98680	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe