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

179
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

literature stripe

Patent stripe

patents stripe