CID 87091217

(9z,12r)-12,18-dihydroxyoctadecenoate

Structural Information

Molecular Formula
C18H34O4
SMILES
C(CCC/C=C\C[C@@H](CCCCCCO)O)CCCC(=O)O
InChI
InChI=1S/C18H34O4/c19-16-12-8-7-10-14-17(20)13-9-5-3-1-2-4-6-11-15-18(21)22/h5,9,17,19-20H,1-4,6-8,10-16H2,(H,21,22)/b9-5-/t17-/m0/s1
InChIKey
CZPHPIIPERYZSA-OOYWPUHTSA-N
Compound name
(Z,12R)-12,18-dihydroxyoctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

314.2457 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 182.9
[M+Na]+ 337.23492 187.8
[M+NH4]+ 332.27952 186.0
[M+K]+ 353.20886 182.5
[M-H]- 313.23842 178.3
[M+Na-2H]- 335.22037 180.2
[M]+ 314.24515 181.6
[M]- 314.24625 181.6
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

patents stripe