CID 6113

Ethyl methanesulfonate

Structural Information

Molecular Formula
C3H8O3S
SMILES
CCOS(=O)(=O)C
InChI
InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3
InChIKey
PLUBXMRUUVWRLT-UHFFFAOYSA-N
Compound name
ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2425
References

37295
Patents

124.01942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.02670 119.9
[M+Na]+ 147.00864 129.2
[M-H]- 123.01214 121.1
[M+NH4]+ 142.05324 142.9
[M+K]+ 162.98258 129.1
[M+H-H2O]+ 107.01668 116.0
[M+HCOO]- 169.01762 138.8
[M+CH3COO]- 183.03327 166.5
[M+Na-2H]- 144.99409 125.6
[M]+ 124.01887 124.6
[M]- 124.01997 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe