CID 11253965

Kanzonol q

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1(CCC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C
InChI
InChI=1S/C15H16O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-5,8H,6-7H2,1-3H3
InChIKey
HJUDWPJIBKIYQS-UHFFFAOYSA-N
Compound name
5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 154.5
[M+Na]+ 283.09408 165.1
[M-H]- 259.09758 162.0
[M+NH4]+ 278.13868 173.4
[M+K]+ 299.06802 164.8
[M+H-H2O]+ 243.10212 147.9
[M+HCOO]- 305.10306 172.9
[M+CH3COO]- 319.11871 197.4
[M+Na-2H]- 281.07953 163.8
[M]+ 260.10431 159.4
[M]- 260.10541 159.4
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.