CID 10036702

159525-92-5

Structural Information

Molecular Formula

C₆H₁₀ClNO₄S

SMILES

COC(=O)[C@@H]1CCCN1S(=O)(=O)Cl

InChI

InChI=1S/C6H10ClNO4S/c1-12-6(9)5-3-2-4-8(5)13(7,10)11/h5H,2-4H2,1H3/t5-/m0/s1

InChIKey

XQDKBOAVUMETTB-YFKPBYRVSA-N

Compound name

methyl (2S)-1-chlorosulfonylpyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 227.0019 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]+	228.00918	144.8
[M+Na]+	249.99112	153.7
[M-H]-	225.99462	147.6
[M+NH4]+	245.03572	164.8
[M+K]+	265.96506	151.6
[M+H-H2O]+	209.99916	140.6
[M+HCOO]-	272.00010	156.0
[M+CH3COO]-	286.01575	180.6
[M+Na-2H]-	247.97657	145.8
[M]+	227.00135	148.8
[M]-	227.00245	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe