CID 9609

Diethyl sulfide

Structural Information

Molecular Formula
C4H10S
SMILES
CCSCC
InChI
InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChIKey
LJSQFQKUNVCTIA-UHFFFAOYSA-N
Compound name
ethylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

52
References

35379
Patents

90.05032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.057596 114.8
[M+Na]+ 113.03954 123.0
[M-H]- 89.043044 115.8
[M+NH4]+ 108.08414 139.4
[M+K]+ 129.01348 122.6
[M+H-H2O]+ 73.047580 110.8
[M+HCOO]- 135.04852 133.8
[M+CH3COO]- 149.06417 165.4
[M+Na-2H]- 111.02499 119.3
[M]+ 90.049771 117.5
[M]- 90.050869 117.5
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