CID 5312683

8,11,14-octadecatriynoic acid

Structural Information

Molecular Formula
C18H24O2
SMILES
CCCC#CCC#CCC#CCCCCCCC(=O)O
InChI
InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6,9,12-17H2,1H3,(H,19,20)
InChIKey
PZEZOXBETFWFDN-UHFFFAOYSA-N
Compound name
octadeca-8,11,14-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.17764 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 171.8
[M+Na]+ 295.16686 178.8
[M-H]- 271.17036 173.9
[M+NH4]+ 290.21146 178.6
[M+K]+ 311.14080 174.8
[M+H-H2O]+ 255.17490 160.2
[M+HCOO]- 317.17584 174.0
[M+CH3COO]- 331.19149 233.4
[M+Na-2H]- 293.15231 169.0
[M]+ 272.17709 165.4
[M]- 272.17819 165.4
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.