CID 51136456

(e)-6-hydroxyoctadec-4-enoic acid

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCCCCCC(/C=C/CCC(=O)O)O
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
InChIKey
SCZSILIHRULXII-NTCAYCPXSA-N
Compound name
(E)-6-hydroxyoctadec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2508 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.258076 181.8
[M+Na]+ 321.240018 183.3
[M-H]- 297.243524 177.1
[M+NH4]+ 316.284623 195.6
[M+K]+ 337.213958 179.3
[M+H-H2O]+ 281.248060 175.4
[M+HCOO]- 343.249001 197.7
[M+CH3COO]- 357.264651 203.1
[M+Na-2H]- 319.225466 178.9
[M]+ 298.25025142 185.3
[M]- 298.25134858 185.3
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.