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]+ 271.169276 168.9
[M+Na]+ 293.151218 177.0
[M-H]- 269.154724 169.1
[M+NH4]+ 288.195823 179.9
[M+K]+ 309.125158 171.4
[M+H-H2O]+ 253.159260 154.9
[M+HCOO]- 315.160201 177.1
[M+CH3COO]- 329.175851 219.3
[M+Na-2H]- 291.136666 167.4
[M]+ 270.16145142 163.2
[M]- 270.16254858 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.