CID 29044

Ether, 2-(ethylthio)ethyl vinyl

Structural Information

Molecular Formula
C6H12OS
SMILES
CCSCCOC=C
InChI
InChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3
InChIKey
JBYKCFLLZLHPIR-UHFFFAOYSA-N
Compound name
1-ethenoxy-2-ethylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

516
Patents

132.06088 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.068156 126.3
[M+Na]+ 155.050098 133.8
[M-H]- 131.053604 126.8
[M+NH4]+ 150.094703 149.0
[M+K]+ 171.024038 132.5
[M+H-H2O]+ 115.058140 121.6
[M+HCOO]- 177.059081 145.0
[M+CH3COO]- 191.074731 172.3
[M+Na-2H]- 153.035546 129.7
[M]+ 132.06033142 130.4
[M]- 132.06142858 130.4
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