CID 6497

Dimethyl sulfate

Structural Information

Molecular Formula
C2H6O4S
SMILES
COS(=O)(=O)OC
InChI
InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
InChIKey
VAYGXNSJCAHWJZ-UHFFFAOYSA-N
Compound name
dimethyl sulfate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

867
References

77875
Patents

125.99868 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.005956 118.5
[M+Na]+ 148.987898 128.0
[M-H]- 124.991404 119.8
[M+NH4]+ 144.032503 141.3
[M+K]+ 164.961838 128.6
[M+H-H2O]+ 108.995940 114.5
[M+HCOO]- 170.996881 137.9
[M+CH3COO]- 185.012531 165.6
[M+Na-2H]- 146.973346 124.8
[M]+ 125.99813142 124.2
[M]- 125.99922858 124.2
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