CID 135563709

3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1h-naphtho[2,1-b]pyran-1-one

Structural Information

Molecular Formula
C14H12O6
SMILES
CC1(CC(=O)C2=C(O1)C=C(C3=C2C=C(C=C3O)O)O)O
InChI
InChI=1S/C14H12O6/c1-14(19)5-10(18)13-7-2-6(15)3-8(16)12(7)9(17)4-11(13)20-14/h2-4,15-17,19H,5H2,1H3
InChIKey
XHAKGHGCOBKEEK-UHFFFAOYSA-N
Compound name
3,6,7,9-tetrahydroxy-3-methyl-2H-benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 157.0
[M+Na]+ 299.05262 167.5
[M-H]- 275.05612 159.1
[M+NH4]+ 294.09722 173.9
[M+K]+ 315.02656 164.7
[M+H-H2O]+ 259.06066 151.9
[M+HCOO]- 321.06160 170.7
[M+CH3COO]- 335.07725 192.5
[M+Na-2H]- 297.03807 163.6
[M]+ 276.06285 157.8
[M]- 276.06395 157.8
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.