CID 137944464

2287333-84-8

Structural Information

Molecular Formula
C8H14O4S
SMILES
C1CCC2(CC1)COS(=O)(=O)OC2
InChI
InChI=1S/C8H14O4S/c9-13(10)11-6-8(7-12-13)4-2-1-3-5-8/h1-7H2
InChIKey
XNASVTVJTGHKIN-UHFFFAOYSA-N
Compound name
2,4-dioxa-3lambda6-thiaspiro[5.5]undecane 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06128 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06856 137.9
[M+Na]+ 229.05050 144.0
[M-H]- 205.05400 144.3
[M+NH4]+ 224.09510 158.5
[M+K]+ 245.02444 145.6
[M+H-H2O]+ 189.05854 133.3
[M+HCOO]- 251.05948 150.2
[M+CH3COO]- 265.07513 176.7
[M+Na-2H]- 227.03595 145.8
[M]+ 206.06073 135.9
[M]- 206.06183 135.9
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.