CID 380977

Nsc666853

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1=C2C(=CC=C1)OC3=C(C2=O)CC(C(O3)(C)C)O
InChI
InChI=1S/C15H16O4/c1-8-5-4-6-10-12(8)13(17)9-7-11(16)15(2,3)19-14(9)18-10/h4-6,11,16H,7H2,1-3H3
InChIKey
YZOIJOQBCKWHFJ-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[2,3-b]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 155.0
[M+Na]+ 283.09408 166.1
[M-H]- 259.09758 161.6
[M+NH4]+ 278.13868 173.5
[M+K]+ 299.06802 165.0
[M+H-H2O]+ 243.10212 149.0
[M+HCOO]- 305.10306 171.8
[M+CH3COO]- 319.11871 168.4
[M+Na-2H]- 281.07953 163.2
[M]+ 260.10431 158.6
[M]- 260.10541 158.6
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.