CID 17753832

Ns00073348

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

0
Patents

162.0173 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.024576 130.7
[M+Na]+ 185.006518 138.3
[M-H]- 161.010024 131.0
[M+NH4]+ 180.051123 151.9
[M+K]+ 200.980458 134.5
[M+H-H2O]+ 145.014560 125.7
[M+HCOO]- 207.015501 142.6
[M+CH3COO]- 221.031151 175.7
[M+Na-2H]- 182.991966 130.4
[M]+ 162.01675142 133.2
[M]- 162.01784858 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