CID 57699687

2-(oxolan-2-yl)ethyl methanesulfonate

Structural Information

Molecular Formula
C7H14O4S
SMILES
CS(=O)(=O)OCCC1CCCO1
InChI
InChI=1S/C7H14O4S/c1-12(8,9)11-6-4-7-3-2-5-10-7/h7H,2-6H2,1H3
InChIKey
ZBKAXMKMMCQJPX-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

194.06128 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06856 140.0
[M+Na]+ 217.05050 147.1
[M-H]- 193.05400 144.1
[M+NH4]+ 212.09510 160.4
[M+K]+ 233.02444 147.6
[M+H-H2O]+ 177.05854 135.5
[M+HCOO]- 239.05948 156.8
[M+CH3COO]- 253.07513 176.7
[M+Na-2H]- 215.03595 143.7
[M]+ 194.06073 143.8
[M]- 194.06183 143.8
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