CID 171119150

8e,15e-heptadecadien-11,13-diynoic acid

Structural Information

Molecular Formula
C17H22O2
SMILES
C/C=C/C#CC#CC/C=C/CCCCCCC(=O)O
InChI
InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-3,9-10H,8,11-16H2,1H3,(H,18,19)/b3-2+,10-9+
InChIKey
IDXJZHSZTNTIRY-SCIPBJTFSA-N
Compound name
(8E,15E)-heptadeca-8,15-dien-11,13-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 168.0
[M+Na]+ 281.15122 175.9
[M-H]- 257.15472 167.5
[M+NH4]+ 276.19582 179.0
[M+K]+ 297.12516 170.5
[M+H-H2O]+ 241.15926 154.3
[M+HCOO]- 303.16020 175.4
[M+CH3COO]- 317.17585 215.8
[M+Na-2H]- 279.13667 166.5
[M]+ 258.16145 161.2
[M]- 258.16255 161.2
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.