CID 6163

Diethyl sulfate

Structural Information

Molecular Formula
C4H10O4S
SMILES
CCOS(=O)(=O)OCC
InChI
InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
InChIKey
DENRZWYUOJLTMF-UHFFFAOYSA-N
Compound name
diethyl sulfate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

298
References

55971
Patents

154.02998 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.037256 127.6
[M+Na]+ 177.019198 136.3
[M-H]- 153.022704 128.5
[M+NH4]+ 172.063803 149.3
[M+K]+ 192.993138 136.4
[M+H-H2O]+ 137.027240 123.2
[M+HCOO]- 199.028181 146.4
[M+CH3COO]- 213.043831 171.6
[M+Na-2H]- 175.004646 133.0
[M]+ 154.02943142 134.1
[M]- 154.03052858 134.1
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