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

55755
Patents

154.02998 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03726 127.6
[M+Na]+ 177.01920 136.3
[M-H]- 153.02270 128.5
[M+NH4]+ 172.06380 149.3
[M+K]+ 192.99314 136.4
[M+H-H2O]+ 137.02724 123.2
[M+HCOO]- 199.02818 146.4
[M+CH3COO]- 213.04383 171.6
[M+Na-2H]- 175.00465 133.0
[M]+ 154.02943 134.1
[M]- 154.03053 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.