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]+ 249.184906 161.4
[M+Na]+ 271.166848 167.9
[M-H]- 247.170354 158.8
[M+NH4]+ 266.211453 176.5
[M+K]+ 287.140788 162.8
[M+H-H2O]+ 231.174890 150.0
[M+HCOO]- 293.175831 175.6
[M+CH3COO]- 307.191481 199.4
[M+Na-2H]- 269.152296 161.5
[M]+ 248.17708142 158.4
[M]- 248.17817858 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.