CID 4157424

13700-08-8

Structural Information

Molecular Formula
C3H8O3S2
SMILES
CS(=O)(=O)SCCO
InChI
InChI=1S/C3H8O3S2/c1-8(5,6)7-3-2-4/h4H,2-3H2,1H3
InChIKey
AGPKHLPHPSLRED-UHFFFAOYSA-N
Compound name
2-methylsulfonylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

81
Patents

155.99149 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99877 128.2
[M+Na]+ 178.98071 136.4
[M-H]- 154.98421 127.3
[M+NH4]+ 174.02531 148.8
[M+K]+ 194.95465 133.5
[M+H-H2O]+ 138.98875 123.8
[M+HCOO]- 200.98969 139.5
[M+CH3COO]- 215.00534 169.1
[M+Na-2H]- 176.96616 130.7
[M]+ 155.99094 131.3
[M]- 155.99204 131.3
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.