CID 165563361

Tert-butyl n-[2-(chlorosulfonyl)-1-cyclopentylethyl]carbamate

Structural Information

Molecular Formula
C12H22ClNO4S
SMILES
CC(C)(C)OC(=O)NC(CS(=O)(=O)Cl)C1CCCC1
InChI
InChI=1S/C12H22ClNO4S/c1-12(2,3)18-11(15)14-10(8-19(13,16)17)9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKey
GWTYNJBGAGKZTR-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chlorosulfonyl-1-cyclopentylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0958 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.103076 172.3
[M+Na]+ 334.085018 177.0
[M-H]- 310.088524 175.4
[M+NH4]+ 329.129623 189.7
[M+K]+ 350.058958 174.3
[M+H-H2O]+ 294.093060 168.1
[M+HCOO]- 356.094001 181.3
[M+CH3COO]- 370.109651 199.5
[M+Na-2H]- 332.070466 172.1
[M]+ 311.09525142 175.8
[M]- 311.09634858 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.