CID 380486

Nsc666101

Structural Information

Molecular Formula
C16H16O4
SMILES
CC1=C(C=CC2=C1C3=C(C=CC(O3)(C)C)C(=O)O2)OC
InChI
InChI=1S/C16H16O4/c1-9-11(18-4)5-6-12-13(9)14-10(15(17)19-12)7-8-16(2,3)20-14/h5-8H,1-4H3
InChIKey
IZKMNNMHTFGPQW-UHFFFAOYSA-N
Compound name
9-methoxy-2,2,10-trimethylpyrano[3,2-c]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 157.9
[M+Na]+ 295.09408 170.1
[M-H]- 271.09758 166.1
[M+NH4]+ 290.13868 176.7
[M+K]+ 311.06802 169.5
[M+H-H2O]+ 255.10212 151.3
[M+HCOO]- 317.10306 177.4
[M+CH3COO]- 331.11871 201.3
[M+Na-2H]- 293.07953 167.0
[M]+ 272.10431 165.0
[M]- 272.10541 165.0
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.