CID 53480359

9-hote

Structural Information

Molecular Formula
C18H30O3
SMILES
CC/C=C\CC/C=C/C=C(\CCCCCCCC(=O)O)/O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,8,11,14,19H,2,5-7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,11-8+,17-14+
InChIKey
YUPHIKSLGBATJK-OBKPXJAFSA-N
Compound name
(9E,11E,15Z)-9-hydroxyoctadeca-9,11,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

36
Patents

294.21948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 178.5
[M+Na]+ 317.20870 184.7
[M+NH4]+ 312.25330 182.1
[M+K]+ 333.18264 178.3
[M-H]- 293.21220 174.6
[M+Na-2H]- 315.19415 176.7
[M]+ 294.21893 177.6
[M]- 294.22003 177.6
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

patents stripe