CID 137963902

2225144-48-7

Structural Information

Molecular Formula
C12H18ClNO6S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2CS(=O)(=O)Cl
InChI
InChI=1S/C12H18ClNO6S/c1-11(2,3)20-10(16)14-6-12(7-14)4-9(15)19-8(12)5-21(13,17)18/h8H,4-7H2,1-3H3
InChIKey
HENZEOXALVVECJ-UHFFFAOYSA-N
Compound name
tert-butyl 5-(chlorosulfonylmethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.05432 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06160 162.1
[M+Na]+ 362.04354 167.6
[M-H]- 338.04704 166.8
[M+NH4]+ 357.08814 172.0
[M+K]+ 378.01748 169.7
[M+H-H2O]+ 322.05158 154.2
[M+HCOO]- 384.05252 168.0
[M+CH3COO]- 398.06817 203.3
[M+Na-2H]- 360.02899 165.1
[M]+ 339.05377 177.2
[M]- 339.05487 177.2
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.