CID 13845940

Piperochromanoic acid

Structural Information

Molecular Formula
C22H28O4
SMILES
CC(=CCC/C(=C\CCC1C(=C)CC2=C(O1)C(=CC(=C2)C(=O)O)O)/C)C
InChI
InChI=1S/C22H28O4/c1-14(2)7-5-8-15(3)9-6-10-20-16(4)11-17-12-18(22(24)25)13-19(23)21(17)26-20/h7,9,12-13,20,23H,4-6,8,10-11H2,1-3H3,(H,24,25)/b15-9-
InChIKey
XBOKPWYVDNVFMX-DHDCSXOGSA-N
Compound name
2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-8-hydroxy-3-methylidene-4H-chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.19876 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20604 188.3
[M+Na]+ 379.18798 197.7
[M+NH4]+ 374.23258 193.0
[M+K]+ 395.16192 192.4
[M-H]- 355.19148 188.9
[M+Na-2H]- 377.17343 187.6
[M]+ 356.19821 189.4
[M]- 356.19931 189.4
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.