CID 6441681

Colneleic acid

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+
InChIKey
HHZKKFXQEIBVEV-CXXUKANQSA-N
Compound name
(E)-9-[(1E,3Z)-nona-1,3-dienoxy]non-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

85
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