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

6
Annotation Hits: 293
References: 41477
Patents: 154.02998 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.03726	130.8
[M+Na]+	177.01920	139.9
[M+NH4]+	172.06380	137.7
[M+K]+	192.99314	134.4
[M-H]-	153.02270	128.5
[M+Na-2H]-	175.00465	133.1
[M]+	154.02943	131.7
[M]-	154.03053	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe