CID 131839746

Xionenynic acid

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCCCCC/C=C\C#CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,12-17H2,1H3,(H,19,20)/b9-8-
InChIKey
LYAZOPAKEWHIMH-HJWRWDBZSA-N
Compound name
(Z)-octadec-10-en-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 169.0
[M+Na]+ 301.213798 174.5
[M-H]- 277.217304 166.0
[M+NH4]+ 296.258403 183.1
[M+K]+ 317.187738 169.5
[M+H-H2O]+ 261.221840 157.2
[M+HCOO]- 323.222781 182.6
[M+CH3COO]- 337.238431 206.1
[M+Na-2H]- 299.199246 168.3
[M]+ 278.22403142 167.5
[M]- 278.22512858 167.5
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.