CID 131751125

Podocarpic acid (obsol.)

Structural Information

Molecular Formula
C20H34O2
SMILES
CCCCC/C=C/C/C=C/CCCC/C=C\CCCC(=O)O
InChI
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,16-15-
InChIKey
PRHHYVQTPBEDFE-VOXUQRCTSA-N
Compound name
(5Z,11E,14E)-icosa-5,11,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 183.8
[M+Na]+ 329.24512 191.0
[M+NH4]+ 324.28972 188.2
[M+K]+ 345.21906 182.4
[M-H]- 305.24862 181.1
[M+Na-2H]- 327.23057 182.9
[M]+ 306.25535 183.6
[M]- 306.25645 183.6
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.