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]+ 156.998766 128.2
[M+Na]+ 178.980708 136.4
[M-H]- 154.984214 127.3
[M+NH4]+ 174.025313 148.8
[M+K]+ 194.954648 133.5
[M+H-H2O]+ 138.988750 123.8
[M+HCOO]- 200.989691 139.5
[M+CH3COO]- 215.005341 169.1
[M+Na-2H]- 176.966156 130.7
[M]+ 155.99094142 131.3
[M]- 155.99203858 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

literature stripe

Patent stripe

patents stripe