CID 5482101

Geraldol

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3
InChIKey
WRFQRUBJBPLPAM-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

248
Patents

300.0634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 164.6
[M+Na]+ 323.05262 180.3
[M+NH4]+ 318.09722 171.3
[M+K]+ 339.02656 174.9
[M-H]- 299.05612 168.9
[M+Na-2H]- 321.03807 170.7
[M]+ 300.06285 168.1
[M]- 300.06395 168.1
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