CID 165789193

2825005-46-5

Structural Information

Molecular Formula
C11H20ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCCCC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H20ClNO4S/c1-11(2,3)17-10(14)13-7-5-4-6-9(8-13)18(12,15)16/h9H,4-8H2,1-3H3
InChIKey
KTFMOVSLXYJLCI-UHFFFAOYSA-N
Compound name
tert-butyl 3-chlorosulfonylazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.08017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.087446 158.9
[M+Na]+ 320.069388 163.2
[M-H]- 296.072894 161.6
[M+NH4]+ 315.113993 173.1
[M+K]+ 336.043328 165.9
[M+H-H2O]+ 280.077430 153.3
[M+HCOO]- 342.078371 164.9
[M+CH3COO]- 356.094021 196.0
[M+Na-2H]- 318.054836 160.0
[M]+ 297.07962142 158.3
[M]- 297.08071858 158.3
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.