CID 129958915

Tert-butyl n-[(1s,4s)-4-(chlorosulfonyl)cyclohexyl]carbamate

Structural Information

Molecular Formula

C₁₁H₂₀ClNO₄S

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C11H20ClNO4S/c1-11(2,3)17-10(14)13-8-4-6-9(7-5-8)18(12,15)16/h8-9H,4-7H2,1-3H3,(H,13,14)

InChIKey

WGFZGDZJMGHURP-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-chlorosulfonylcyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 297.08017 Da
Monoisotopic Mass: 2.4
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]+	298.087446	164.1
[M+Na]+	320.069388	169.3
[M-H]-	296.072894	167.2
[M+NH4]+	315.113993	180.5
[M+K]+	336.043328	166.4
[M+H-H2O]+	280.077430	159.8
[M+HCOO]-	342.078371	172.3
[M+CH3COO]-	356.094021	197.4
[M+Na-2H]-	318.054836	166.0
[M]+	297.07962142	166.1
[M]-	297.08071858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe