CID 496082

Nsc678110

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1C(OC2=CC(=C3C(=CC(=O)OC3=C2C1=O)C)OC)C
InChI
InChI=1S/C16H16O5/c1-7-5-12(17)21-16-13(7)10(19-4)6-11-14(16)15(18)8(2)9(3)20-11/h5-6,8-9H,1-4H3
InChIKey
WRROAYQANUOQRM-UHFFFAOYSA-N
Compound name
5-methoxy-4,8,9-trimethyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 161.3
[M+Na]+ 311.08898 173.2
[M-H]- 287.09248 169.4
[M+NH4]+ 306.13358 177.6
[M+K]+ 327.06292 172.6
[M+H-H2O]+ 271.09702 154.6
[M+HCOO]- 333.09796 179.5
[M+CH3COO]- 347.11361 206.4
[M+Na-2H]- 309.07443 167.0
[M]+ 288.09921 168.2
[M]- 288.10031 168.2
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.