CID 14966741

141120-33-4

Structural Information

Molecular Formula
C9H16O5S
SMILES
CS(=O)(=O)OC1CCC2(CC1)OCCO2
InChI
InChI=1S/C9H16O5S/c1-15(10,11)14-8-2-4-9(5-3-8)12-6-7-13-9/h8H,2-7H2,1H3
InChIKey
XSLHQJJTBVYMJX-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

236.07184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07912 147.1
[M+Na]+ 259.06106 153.2
[M-H]- 235.06456 153.5
[M+NH4]+ 254.10566 166.5
[M+K]+ 275.03500 155.0
[M+H-H2O]+ 219.06910 143.5
[M+HCOO]- 281.07004 160.1
[M+CH3COO]- 295.08569 181.8
[M+Na-2H]- 257.04651 153.0
[M]+ 236.07129 148.3
[M]- 236.07239 148.3
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

patents stripe