CID 10040432

Carviolin

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)O)CO
InChI
InChI=1S/C16H12O6/c1-22-12-3-7(6-17)2-9-14(12)16(21)13-10(15(9)20)4-8(18)5-11(13)19/h2-5,17-19H,6H2,1H3
InChIKey
XNMZBRJAWRIJII-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-6-(hydroxymethyl)-8-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

300.0634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 162.2
[M+Na]+ 323.05262 172.9
[M-H]- 299.05612 164.9
[M+NH4]+ 318.09722 178.1
[M+K]+ 339.02656 168.9
[M+H-H2O]+ 283.06066 156.1
[M+HCOO]- 345.06160 179.2
[M+CH3COO]- 359.07725 201.1
[M+Na-2H]- 321.03807 166.4
[M]+ 300.06285 165.3
[M]- 300.06395 165.3
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.