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

0
Patents

311.0958 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10308 168.5
[M+Na]+ 334.08502 173.2
[M-H]- 310.08852 171.4
[M+NH4]+ 329.12962 184.3
[M+K]+ 350.05896 170.1
[M+H-H2O]+ 294.09306 164.0
[M+HCOO]- 356.09400 176.4
[M+CH3COO]- 370.10965 200.4
[M+Na-2H]- 332.07047 170.0
[M]+ 311.09525 170.9
[M]- 311.09635 170.9
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.