CID 1068

Dimethyl sulfide

Structural Information

Molecular Formula
C2H6S
SMILES
CSC
InChI
InChI=1S/C2H6S/c1-3-2/h1-2H3
InChIKey
QMMFVYPAHWMCMS-UHFFFAOYSA-N
Compound name
methylsulfanylmethane
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

997
References

180009
Patents

62.01902 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 63.026296 105.8
[M+Na]+ 85.008238 114.8
[M-H]- 61.011744 107.1
[M+NH4]+ 80.052843 131.4
[M+K]+ 100.98218 114.9
[M+H-H2O]+ 45.016280 102.1
[M+HCOO]- 107.01722 125.3
[M+CH3COO]- 121.03287 159.3
[M+Na-2H]- 82.993686 111.3
[M]+ 62.018471 107.6
[M]- 62.019569 107.6
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.