CID 520498

Ethanol, 2-(ethenylthio)-

Structural Information

Molecular Formula
C4H8OS
SMILES
C=CSCCO
InChI
InChI=1S/C4H8OS/c1-2-6-4-3-5/h2,5H,1,3-4H2
InChIKey
CJDXLHTYSXHWDC-UHFFFAOYSA-N
Compound name
2-ethenylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

104.02959 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 118.1
[M+Na]+ 127.01881 126.0
[M-H]- 103.02231 117.5
[M+NH4]+ 122.06341 141.1
[M+K]+ 142.99275 124.2
[M+H-H2O]+ 87.026850 114.0
[M+HCOO]- 149.02779 135.9
[M+CH3COO]- 163.04344 163.5
[M+Na-2H]- 125.00426 122.0
[M]+ 104.02904 119.5
[M]- 104.03014 119.5
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