CID 134812111

(6z,10e)-hexadec-6,10-dien-8-ynoic acid

Structural Information

Molecular Formula
C16H24O2
SMILES
CCCCC/C=C/C#C/C=C\CCCCC(=O)O
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,10-11H,2-5,12-15H2,1H3,(H,17,18)/b7-6+,11-10-
InChIKey
AJOUVFQEKMCFLL-WFKFFMJQSA-N
Compound name
(6Z,10E)-hexadeca-6,10-dien-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17763 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 161.4
[M+Na]+ 271.16685 167.9
[M-H]- 247.17035 158.8
[M+NH4]+ 266.21145 176.5
[M+K]+ 287.14079 162.8
[M+H-H2O]+ 231.17489 150.0
[M+HCOO]- 293.17583 175.6
[M+CH3COO]- 307.19148 199.4
[M+Na-2H]- 269.15230 161.5
[M]+ 248.17708 158.4
[M]- 248.17818 158.4
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.