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 192.6
[M-H]- 355.19148 189.6
[M+NH4]+ 374.23258 199.8
[M+K]+ 395.16192 188.1
[M+H-H2O]+ 339.19602 181.8
[M+HCOO]- 401.19696 200.0
[M+CH3COO]- 415.21261 215.2
[M+Na-2H]- 377.17343 184.7
[M]+ 356.19821 188.2
[M]- 356.19931 188.2
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.