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]+ 312.10308 172.3
[M+Na]+ 334.08502 177.0
[M-H]- 310.08852 175.4
[M+NH4]+ 329.12962 189.7
[M+K]+ 350.05896 174.3
[M+H-H2O]+ 294.09306 168.1
[M+HCOO]- 356.09400 181.3
[M+CH3COO]- 370.10965 199.5
[M+Na-2H]- 332.07047 172.1
[M]+ 311.09525 175.8
[M]- 311.09635 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.