CID 9543606

5z,11z,14z-eicosatrien-8-ynoic acid

Structural Information

Molecular Formula
C20H30O2
SMILES
CCCCC/C=C\C/C=C\CC#CC/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15-
InChIKey
YETMSTXPNJOICF-URZBRJKDSA-N
Compound name
(5Z,11Z,14Z)-icosa-5,11,14-trien-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 176.6
[M+Na]+ 325.21380 182.1
[M-H]- 301.21730 173.4
[M+NH4]+ 320.25840 189.8
[M+K]+ 341.18774 175.4
[M+H-H2O]+ 285.22184 164.7
[M+HCOO]- 347.22278 189.9
[M+CH3COO]- 361.23843 208.8
[M+Na-2H]- 323.19925 174.8
[M]+ 302.22403 174.3
[M]- 302.22513 174.3
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.