CID 44259051

Citrusinol

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3
InChIKey
OKQQXHUICMLKQI-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

352.0947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 179.4
[M+Na]+ 375.08392 196.1
[M+NH4]+ 370.12852 188.0
[M+K]+ 391.05786 188.2
[M-H]- 351.08742 186.0
[M+Na-2H]- 373.06937 185.8
[M]+ 352.09415 184.1
[M]- 352.09525 184.1
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

patents stripe