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]+ 251.09478 150.2
[M+Na]+ 273.07672 154.8
[M-H]- 249.08022 156.0
[M+NH4]+ 268.12132 167.0
[M+K]+ 289.05066 156.5
[M+H-H2O]+ 233.08476 145.1
[M+HCOO]- 295.08570 160.7
[M+CH3COO]- 309.10135 185.4
[M+Na-2H]- 271.06217 157.0
[M]+ 250.08695 149.5
[M]- 250.08805 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.