CID 25246008

Etheroleic acid

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCC/C=C/O/C=C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h9,11,13-14,16-17H,2-8,10,12,15H2,1H3,(H,19,20)/b11-9-,16-13+,17-14+
InChIKey
NQNHRHWFZHFAAH-XSWVPMOFSA-N
Compound name
(9Z,11E)-12-[(E)-hex-1-enoxy]dodeca-9,11-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

63
Patents

294.21948 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 177.9
[M+Na]+ 317.20870 185.0
[M+NH4]+ 312.25330 182.0
[M+K]+ 333.18264 177.5
[M-H]- 293.21220 174.7
[M+Na-2H]- 315.19415 177.1
[M]+ 294.21893 177.5
[M]- 294.22003 177.5
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