CID 102586820

(2e)-4-oxooctadeca-2,17-dienoic acid

Structural Information

Molecular Formula
C18H30O3
SMILES
C=CCCCCCCCCCCCCC(=O)/C=C/C(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h2,15-16H,1,3-14H2,(H,20,21)/b16-15+
InChIKey
LAIGSRSLYYWKPR-FOCLMDBBSA-N
Compound name
(2E)-4-oxooctadeca-2,17-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21948 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 177.8
[M+Na]+ 317.20870 180.4
[M-H]- 293.21220 174.7
[M+NH4]+ 312.25330 192.4
[M+K]+ 333.18264 176.0
[M+H-H2O]+ 277.21674 171.5
[M+HCOO]- 339.21768 195.7
[M+CH3COO]- 353.23333 204.0
[M+Na-2H]- 315.19415 175.6
[M]+ 294.21893 181.9
[M]- 294.22003 181.9
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

No patent data available for this compound.