CID 12035387

1,9-dioxaspiro[5.5]undecan-4-yl methanesulfonate

Structural Information

Molecular Formula
C10H18O5S
SMILES
CS(=O)(=O)OC1CCOC2(C1)CCOCC2
InChI
InChI=1S/C10H18O5S/c1-16(11,12)15-9-2-5-14-10(8-9)3-6-13-7-4-10/h9H,2-8H2,1H3
InChIKey
RZMMCJVHNHRFJW-UHFFFAOYSA-N
Compound name
1,9-dioxaspiro[5.5]undecan-4-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0875 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.094776 150.2
[M+Na]+ 273.076718 154.8
[M-H]- 249.080224 156.0
[M+NH4]+ 268.121323 167.0
[M+K]+ 289.050658 156.5
[M+H-H2O]+ 233.084760 145.1
[M+HCOO]- 295.085701 160.7
[M+CH3COO]- 309.101351 185.4
[M+Na-2H]- 271.062166 157.0
[M]+ 250.08695142 149.5
[M]- 250.08804858 149.5
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.