CID 17753832

Schembl20817064

Structural Information

Molecular Formula
C6H10OS2
SMILES
C=CC[S@](=O)C/C=C/S
InChI
InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m0/s1
InChIKey
HSVQDVSVQIMRSS-NWALNABHSA-N
Compound name
(E)-3-[(S)-prop-2-enylsulfinyl]prop-1-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.0173 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02458 130.7
[M+Na]+ 185.00652 138.3
[M-H]- 161.01002 131.0
[M+NH4]+ 180.05112 151.9
[M+K]+ 200.98046 134.5
[M+H-H2O]+ 145.01456 125.7
[M+HCOO]- 207.01550 142.6
[M+CH3COO]- 221.03115 175.7
[M+Na-2H]- 182.99197 130.4
[M]+ 162.01675 133.2
[M]- 162.01785 133.2
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

patents stripe