CID 131624676

2092589-61-0

Structural Information

Molecular Formula
C12H20ClNO4S
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H20ClNO4S/c1-12(2,3)18-11(15)14-8-4-5-9(14)7-10(6-8)19(13,16)17/h8-10H,4-7H2,1-3H3
InChIKey
SVFVRVNZIPQXQK-UHFFFAOYSA-N
Compound name
tert-butyl 3-chlorosulfonyl-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.08017 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08745 170.7
[M+Na]+ 332.06939 178.0
[M-H]- 308.07289 172.1
[M+NH4]+ 327.11399 189.4
[M+K]+ 348.04333 175.2
[M+H-H2O]+ 292.07743 167.7
[M+HCOO]- 354.07837 175.3
[M+CH3COO]- 368.09402 198.3
[M+Na-2H]- 330.05484 172.3
[M]+ 309.07962 175.1
[M]- 309.08072 175.1
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.