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]+ 298.08745 158.9
[M+Na]+ 320.06939 163.2
[M-H]- 296.07289 161.6
[M+NH4]+ 315.11399 173.1
[M+K]+ 336.04333 165.9
[M+H-H2O]+ 280.07743 153.3
[M+HCOO]- 342.07837 164.9
[M+CH3COO]- 356.09402 196.0
[M+Na-2H]- 318.05484 160.0
[M]+ 297.07962 158.3
[M]- 297.08072 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.