CID 168499385

Coreynic acid

Structural Information

Molecular Formula
C19H32O2
SMILES
CCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h8-9,11-12,14-15H,2-7,10,13,16-18H2,1H3,(H,20,21)/b9-8-,12-11-,15-14-
InChIKey
HGXPNTRWDSQNGL-ORZIMQNZSA-N
Compound name
(5Z,8Z,11Z)-nonadeca-5,8,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.24023 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.247506 179.3
[M+Na]+ 315.229448 181.9
[M-H]- 291.232954 176.0
[M+NH4]+ 310.274053 194.3
[M+K]+ 331.203388 176.3
[M+H-H2O]+ 275.237490 173.0
[M+HCOO]- 337.238431 197.7
[M+CH3COO]- 351.254081 203.0
[M+Na-2H]- 313.214896 177.8
[M]+ 292.23968142 182.9
[M]- 292.24077858 182.9
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.