CID 5312425

6z,9z-hexadecadienoic acid

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCCC/C=C\C/C=C\CCCCC(=O)O
InChI
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,17,18)/b8-7-,11-10-
InChIKey
JZJWNDAFHKZSNQ-NQLNTKRDSA-N
Compound name
(6Z,9Z)-hexadeca-6,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

252.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 167.4
[M+Na]+ 275.19814 170.9
[M-H]- 251.20164 164.7
[M+NH4]+ 270.24274 184.0
[M+K]+ 291.17208 166.7
[M+H-H2O]+ 235.20618 161.5
[M+HCOO]- 297.20712 186.6
[M+CH3COO]- 311.22277 195.5
[M+Na-2H]- 273.18359 167.5
[M]+ 252.20837 170.6
[M]- 252.20947 170.6
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.