CID 6263

Diethyl sulfoxide

Structural Information

Molecular Formula
C4H10OS
SMILES
CCS(=O)CC
InChI
InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKey
CCAFPWNGIUBUSD-UHFFFAOYSA-N
Compound name
1-ethylsulfinylethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

17948
Patents

106.045235 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.052511 118.1
[M+Na]+ 129.034453 126.2
[M-H]- 105.037959 119.1
[M+NH4]+ 124.079058 141.8
[M+K]+ 145.008393 125.8
[M+H-H2O]+ 89.042495 113.9
[M+HCOO]- 151.043436 136.4
[M+CH3COO]- 165.059086 167.1
[M+Na-2H]- 127.019901 121.4
[M]+ 106.04468642 120.8
[M]- 106.04578358 120.8
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