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]+ 307.263176 183.7
[M+Na]+ 329.245118 185.9
[M-H]- 305.248624 180.3
[M+NH4]+ 324.289723 198.1
[M+K]+ 345.219058 180.1
[M+H-H2O]+ 289.253160 177.2
[M+HCOO]- 351.254101 201.8
[M+CH3COO]- 365.269751 206.0
[M+Na-2H]- 327.230566 181.7
[M]+ 306.25535142 187.7
[M]- 306.25644858 187.7
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.