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 178.7
[M+Na]+ 390.07485 185.1
[M-H]- 366.07835 183.3
[M+NH4]+ 385.11945 194.0
[M+K]+ 406.04879 183.9
[M+H-H2O]+ 350.08289 175.5
[M+HCOO]- 412.08383 183.0
[M+CH3COO]- 426.09948 205.2
[M+Na-2H]- 388.06030 180.9
[M]+ 367.08508 183.0
[M]- 367.08618 183.0
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.