CID 137964535

2228693-26-1

Structural Information

Molecular Formula
C14H22ClNO6S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)OC2CS(=O)(=O)Cl
InChI
InChI=1S/C14H22ClNO6S/c1-13(2,3)22-12(18)16-6-4-14(5-7-16)8-11(17)21-10(14)9-23(15,19)20/h10H,4-9H2,1-3H3
InChIKey
GMEYLEYEBINNII-UHFFFAOYSA-N
Compound name
tert-butyl 1-(chlorosulfonylmethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.08563 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09291 179.9
[M+Na]+ 390.07485 186.3
[M+NH4]+ 385.11945 185.7
[M+K]+ 406.04879 182.6
[M-H]- 366.07835 178.4
[M+Na-2H]- 388.06030 181.1
[M]+ 367.08508 180.9
[M]- 367.08618 180.9
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.