CID 131752232

Chebi:174778

Structural Information

Molecular Formula
C16H20O5
SMILES
CC1CC2=CC(=C3CC(C(OC3=C2C(=O)O1)(C)C)O)OC
InChI
InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(17)16(2,3)21-14(10)13(9)15(18)20-8/h6,8,12,17H,5,7H2,1-4H3
InChIKey
BWHXOOBBSCGLBC-UHFFFAOYSA-N
Compound name
3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

292.13107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13835 164.2
[M+Na]+ 315.12029 173.5
[M-H]- 291.12379 170.0
[M+NH4]+ 310.16489 181.3
[M+K]+ 331.09423 173.2
[M+H-H2O]+ 275.12833 158.2
[M+HCOO]- 337.12927 177.8
[M+CH3COO]- 351.14492 203.7
[M+Na-2H]- 313.10574 169.7
[M]+ 292.13052 167.2
[M]- 292.13162 167.2
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.