CID 81083

6607-53-0

Structural Information

Molecular Formula
C5H10OS
SMILES
CSCCOC=C
InChI
InChI=1S/C5H10OS/c1-3-6-4-5-7-2/h3H,1,4-5H2,2H3
InChIKey
AAOKKJCPGNXYLC-UHFFFAOYSA-N
Compound name
1-ethenoxy-2-methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

118.045235 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 123.8
[M+Na]+ 141.03445 134.5
[M+NH4]+ 136.07906 132.8
[M+K]+ 157.00839 126.2
[M-H]- 117.03796 124.0
[M+Na-2H]- 139.01990 127.6
[M]+ 118.04469 125.8
[M]- 118.04578 125.8
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