CID 69945

Ethyl methyl sulfate

Structural Information

Molecular Formula
C3H8O4S
SMILES
CCOS(=O)(=O)OC
InChI
InChI=1S/C3H8O4S/c1-3-7-8(4,5)6-2/h3H2,1-2H3
InChIKey
JKLNYGDWYRKFKR-UHFFFAOYSA-N
Compound name
ethyl methyl sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1028
Patents

140.01433 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.021606 123.1
[M+Na]+ 163.003548 132.1
[M-H]- 139.007054 124.2
[M+NH4]+ 158.048153 145.3
[M+K]+ 178.977488 132.5
[M+H-H2O]+ 123.011590 118.9
[M+HCOO]- 185.012531 142.2
[M+CH3COO]- 199.028181 168.6
[M+Na-2H]- 160.988996 128.9
[M]+ 140.01378142 129.2
[M]- 140.01487858 129.2
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