CID 59560777

935845-20-8

Structural Information

Molecular Formula

C₉H₁₆ClNO₄S

SMILES

CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H16ClNO4S/c1-9(2,3)15-8(12)11-5-4-7(6-11)16(10,13)14/h7H,4-6H2,1-3H3

InChIKey

NTBNFZSSXSSJBA-UHFFFAOYSA-N

Compound name

tert-butyl 3-chlorosulfonylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 269.04886 Da
Monoisotopic Mass: 1.5
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]+	270.05614	158.6
[M+Na]+	292.03808	166.7
[M-H]-	268.04158	161.4
[M+NH4]+	287.08268	177.2
[M+K]+	308.01202	164.4
[M+H-H2O]+	252.04612	154.7
[M+HCOO]-	314.04706	167.4
[M+CH3COO]-	328.06271	188.7
[M+Na-2H]-	290.02353	159.5
[M]+	269.04831	163.1
[M]-	269.04941	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe