CID 99129

33577-16-1

Structural Information

Molecular Formula
C3H8OS2
SMILES
CSCS(=O)C
InChI
InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3
InChIKey
OTKFCIVOVKCFHR-UHFFFAOYSA-N
Compound name
methylsulfanyl(methylsulfinyl)methane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1833
Patents

124.001656 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.00893 119.4
[M+Na]+ 146.99087 127.6
[M-H]- 122.99438 120.1
[M+NH4]+ 142.03548 142.2
[M+K]+ 162.96481 125.8
[M+H-H2O]+ 106.99892 114.8
[M+HCOO]- 168.99986 131.8
[M+CH3COO]- 183.01551 169.3
[M+Na-2H]- 144.97632 120.4
[M]+ 124.00111 122.2
[M]- 124.00220 122.2
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.