CID 171117705

16z-insignoic acid a

Structural Information

Molecular Formula
C24H42O4
SMILES
CCCCCCC/C=C\CCCCCCCCCC(CC(=O)/C=C/C(=O)O)O
InChI
InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)21-23(26)19-20-24(27)28/h8-9,19-20,22,25H,2-7,10-18,21H2,1H3,(H,27,28)/b9-8-,20-19+
InChIKey
DXRKVCQAINLCNW-JSSYWGFQSA-N
Compound name
(2E,16Z)-6-hydroxy-4-oxotetracosa-2,16-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.30832 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.31560 208.1
[M+Na]+ 417.29754 207.5
[M-H]- 393.30104 202.4
[M+NH4]+ 412.34214 204.9
[M+K]+ 433.27148 201.9
[M+H-H2O]+ 377.30558 200.8
[M+HCOO]- 439.30652 211.3
[M+CH3COO]- 453.32217 221.3
[M+Na-2H]- 415.28299 201.1
[M]+ 394.30777 213.2
[M]- 394.30887 213.2
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.