CID 61574

2-(2-dodecylsulfanylethoxy)ethanol

Structural Information

Molecular Formula
C16H34O2S
SMILES
CCCCCCCCCCCCSCCOCCO
InChI
InChI=1S/C16H34O2S/c1-2-3-4-5-6-7-8-9-10-11-15-19-16-14-18-13-12-17/h17H,2-16H2,1H3
InChIKey
BXSSNHYHHLFNAV-UHFFFAOYSA-N
Compound name
2-(2-dodecylsulfanylethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1
Patents

290.22797 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23525 174.6
[M+Na]+ 313.21719 182.0
[M+NH4]+ 308.26179 181.1
[M+K]+ 329.19113 172.1
[M-H]- 289.22069 173.5
[M+Na-2H]- 311.20264 174.8
[M]+ 290.22742 175.6
[M]- 290.22852 175.6
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