CID 170990155

(9e)-octadeca-9,17-dien-11,13,15-triynoic acid

Structural Information

Molecular Formula
C18H20O2
SMILES
C=CC#CC#CC#C/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,9-10H,1,11-17H2,(H,19,20)/b10-9+
InChIKey
JZNHVJHVMNXPLD-MDZDMXLPSA-N
Compound name
(9E)-octadeca-9,17-dien-11,13,15-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 174.0
[M+Na]+ 291.13555 181.2
[M-H]- 267.13905 176.1
[M+NH4]+ 286.18015 180.8
[M+K]+ 307.10949 176.6
[M+H-H2O]+ 251.14359 162.4
[M+HCOO]- 313.14453 176.2
[M+CH3COO]- 327.16018 233.1
[M+Na-2H]- 289.12100 170.9
[M]+ 268.14578 167.0
[M]- 268.14688 167.0
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.