CID 145867561

2375268-65-6

Structural Information

Molecular Formula
C12H19Cl2NO4S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2(S(=O)(=O)Cl)Cl
InChI
InChI=1S/C12H19Cl2NO4S/c1-10(2,3)19-9(16)15-6-4-11(5-7-15)8-12(11,13)20(14,17)18/h4-8H2,1-3H3
InChIKey
WUYJPEJSKXEOPT-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-2-chlorosulfonyl-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0412 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04848 166.8
[M+Na]+ 366.03042 175.0
[M-H]- 342.03392 170.9
[M+NH4]+ 361.07502 180.0
[M+K]+ 382.00436 172.3
[M+H-H2O]+ 326.03846 164.8
[M+HCOO]- 388.03940 167.7
[M+CH3COO]- 402.05505 202.9
[M+Na-2H]- 364.01587 171.4
[M]+ 343.04065 173.7
[M]- 343.04175 173.7
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.