CID 165533413

2169198-34-7

Structural Information

Molecular Formula
C11H22ClNO4S
SMILES
CC(C)(C)OC(=O)NCC(C)(C)CCS(=O)(=O)Cl
InChI
InChI=1S/C11H22ClNO4S/c1-10(2,3)17-9(14)13-8-11(4,5)6-7-18(12,15)16/h6-8H2,1-5H3,(H,13,14)
InChIKey
IRYDPWNGUVWQLI-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chlorosulfonyl-2,2-dimethylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0958 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10308 166.6
[M+Na]+ 322.08502 172.7
[M-H]- 298.08852 167.1
[M+NH4]+ 317.12962 183.1
[M+K]+ 338.05896 170.0
[M+H-H2O]+ 282.09306 162.8
[M+HCOO]- 344.09400 175.9
[M+CH3COO]- 358.10965 199.9
[M+Na-2H]- 320.07047 170.1
[M]+ 299.09525 173.9
[M]- 299.09635 173.9
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.