CID 80309

Alizarin 1-methyl ether

Structural Information

Molecular Formula
C15H10O4
SMILES
COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C15H10O4/c1-19-15-11(16)7-6-10-12(15)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,16H,1H3
InChIKey
VRGZEPNGEFBVIZ-UHFFFAOYSA-N
Compound name
2-hydroxy-1-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

194
Patents

254.0579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 151.1
[M+Na]+ 277.04712 162.0
[M-H]- 253.05062 156.2
[M+NH4]+ 272.09172 170.1
[M+K]+ 293.02106 157.9
[M+H-H2O]+ 237.05516 144.7
[M+HCOO]- 299.05610 171.4
[M+CH3COO]- 313.07175 195.2
[M+Na-2H]- 275.03257 157.8
[M]+ 254.05735 153.7
[M]- 254.05845 153.7
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.