CID 134812240

16-oxooctadeca-9z,17-dien-12,14-diynal

Structural Information

Molecular Formula
C18H22O2
SMILES
C=CC(=O)C#CC#CC/C=C\CCCCCCCC=O
InChI
InChI=1S/C18H22O2/c1-2-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,4,6,17H,1,3,5,7-9,11,13,15H2/b6-4-
InChIKey
FYCINJKGLLPJKB-XQRVVYSFSA-N
Compound name
(9Z)-16-oxooctadeca-9,17-dien-12,14-diynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 168.9
[M+Na]+ 293.15122 177.0
[M-H]- 269.15472 169.1
[M+NH4]+ 288.19582 179.9
[M+K]+ 309.12516 171.4
[M+H-H2O]+ 253.15926 154.9
[M+HCOO]- 315.16020 177.1
[M+CH3COO]- 329.17585 219.3
[M+Na-2H]- 291.13667 167.4
[M]+ 270.16145 163.2
[M]- 270.16255 163.2
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

No patent data available for this compound.