CID 146082375

2408970-90-9

Structural Information

Molecular Formula
C13H22ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H22ClNO4S/c1-12(2,3)19-11(16)15-6-4-13(5-7-15)8-10(9-13)20(14,17)18/h10H,4-9H2,1-3H3
InChIKey
PIKDMCQDQXSIQV-UHFFFAOYSA-N
Compound name
tert-butyl 2-chlorosulfonyl-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0958 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10308 163.6
[M+Na]+ 346.08502 167.6
[M-H]- 322.08852 166.7
[M+NH4]+ 341.12962 173.5
[M+K]+ 362.05896 168.0
[M+H-H2O]+ 306.09306 154.0
[M+HCOO]- 368.09400 167.4
[M+CH3COO]- 382.10965 201.9
[M+Na-2H]- 344.07047 166.2
[M]+ 323.09525 174.1
[M]- 323.09635 174.1
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.