CID 75203222

Schembl16680679

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCC/C=C/C(=O)CC/C=C\CCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,9,11,14H,2-5,7-8,10,12-13,15-16H2,1H3,(H,20,21)/b9-6-,14-11+
InChIKey
QMTYMSFFZCYAIQ-BLMPOAMMSA-N
Compound name
(6Z,11E)-10-oxooctadeca-6,11-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

294.21948 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.226756 178.1
[M+Na]+ 317.208698 180.7
[M-H]- 293.212204 175.0
[M+NH4]+ 312.253303 192.7
[M+K]+ 333.182638 176.4
[M+H-H2O]+ 277.216740 171.7
[M+HCOO]- 339.217681 196.0
[M+CH3COO]- 353.233331 203.3
[M+Na-2H]- 315.194146 175.9
[M]+ 294.21893142 182.1
[M]- 294.22002858 182.1
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