CID 185666

Hexadecadienoic acid, (z,z)-

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCCCCCCCCC=CC=CC(=O)O
InChI
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
InChIKey
OOJGMLFHAQOYIL-UHFFFAOYSA-N
Compound name
hexadeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

319
Patents

252.20892 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 167.1
[M+Na]+ 275.19814 175.0
[M+NH4]+ 270.24274 172.4
[M+K]+ 291.17208 167.5
[M-H]- 251.20164 164.8
[M+Na-2H]- 273.18359 167.4
[M]+ 252.20837 167.1
[M]- 252.20947 167.1
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

patents stripe