CID 9878326

3-methyl-7,9,10-trihydroxy-1h-naphtho[2,3-c]pyran-1-one

Structural Information

Molecular Formula
C14H10O5
SMILES
CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)O
InChI
InChI=1S/C14H10O5/c1-6-2-7-3-8-4-9(15)5-10(16)11(8)13(17)12(7)14(18)19-6/h2-5,15-17H,1H3
InChIKey
CHFXJVIAQRGNOY-UHFFFAOYSA-N
Compound name
7,9,10-trihydroxy-3-methylbenzo[g]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 151.3
[M+Na]+ 281.04205 164.4
[M-H]- 257.04555 155.7
[M+NH4]+ 276.08665 168.0
[M+K]+ 297.01599 161.0
[M+H-H2O]+ 241.05009 145.4
[M+HCOO]- 303.05103 170.7
[M+CH3COO]- 317.06668 191.8
[M+Na-2H]- 279.02750 159.5
[M]+ 258.05228 156.1
[M]- 258.05338 156.1
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.