CID 165565752

2901043-14-7

Structural Information

Molecular Formula

C₁₂H₂₂ClNO₄S

SMILES

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

InChI

InChI=1S/C12H22ClNO4S/c1-12(2,3)18-11(15)14-10-6-4-9(5-7-10)8-19(13,16)17/h9-10H,4-8H2,1-3H3,(H,14,15)

InChIKey

CWYQSNWIISZMKH-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(chlorosulfonylmethyl)cyclohexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.0958 Da
Monoisotopic Mass: 2.6
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]+	312.103076	168.5
[M+Na]+	334.085018	173.2
[M-H]-	310.088524	171.4
[M+NH4]+	329.129623	184.3
[M+K]+	350.058958	170.1
[M+H-H2O]+	294.093060	164.0
[M+HCOO]-	356.094001	176.4
[M+CH3COO]-	370.109651	200.4
[M+Na-2H]-	332.070466	170.0
[M]+	311.09525142	170.9
[M]-	311.09634858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe