CID 3084042

9-octadecenoic acid, 12-hydroxy-, 2-hydroxyethyl ester, (9z,12r)-

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
3
Annotation Hits

0
References

5089
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 193.4
[M+Na]+ 365.26622 194.1
[M-H]- 341.26972 188.4
[M+NH4]+ 360.31082 205.4
[M+K]+ 381.24016 190.1
[M+H-H2O]+ 325.27426 186.4
[M+HCOO]- 387.27520 208.9
[M+CH3COO]- 401.29085 210.3
[M+Na-2H]- 363.25167 189.6
[M]+ 342.27645 199.1
[M]- 342.27755 199.1
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.