CID 3084042

2-hydroxyethyl 12-hydroxyoctadec-9-enoate

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCCCC(CC=CCCCCCCCC(=O)OCCO)O
InChI
InChI=1S/C20H38O4/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21/h9,12,19,21-22H,2-8,10-11,13-18H2,1H3
InChIKey
XLMXUUQMSMKFMH-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4993
Patents

342.277 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 191.2
[M+Na]+ 365.26622 196.3
[M+NH4]+ 360.31082 194.4
[M+K]+ 381.24016 190.3
[M-H]- 341.26972 187.1
[M+Na-2H]- 363.25167 188.7
[M]+ 342.27645 190.2
[M]- 342.27755 190.2
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

No patent data available for this compound.