CID 6436671

Schembl1487505

Structural Information

Molecular Formula
C20H38O2S
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCCS
InChI
InChI=1S/C20H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23/h9-10,23H,2-8,11-19H2,1H3/b10-9+
InChIKey
WEMJWKKJHSZRQT-MDZDMXLPSA-N
Compound name
2-sulfanylethyl (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

358
Patents

342.25925 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26653 191.2
[M+Na]+ 365.24847 198.0
[M+NH4]+ 360.29307 196.7
[M+K]+ 381.22241 187.5
[M-H]- 341.25197 189.6
[M+Na-2H]- 363.23392 190.4
[M]+ 342.25870 191.9
[M]- 342.25980 191.9
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

No patent data available for this compound.