CID 46927870

3-hydroxyxanthyletin

Structural Information

Molecular Formula
C14H12O4
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)O)C
InChI
InChI=1S/C14H12O4/c1-14(2)4-3-8-5-9-6-10(15)13(16)17-11(9)7-12(8)18-14/h3-7,15H,1-2H3
InChIKey
SBJCIDMVALOFAL-UHFFFAOYSA-N
Compound name
7-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 149.4
[M+Na]+ 267.06278 161.1
[M-H]- 243.06628 156.2
[M+NH4]+ 262.10738 168.3
[M+K]+ 283.03672 160.0
[M+H-H2O]+ 227.07082 143.3
[M+HCOO]- 289.07176 168.1
[M+CH3COO]- 303.08741 163.4
[M+Na-2H]- 265.04823 159.8
[M]+ 244.07301 153.7
[M]- 244.07411 153.7
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.