CID 80103

Alizarin 2-methyl ether

Structural Information

Molecular Formula
C15H10O4
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3
InChIKey
BYQWRZGQEZAOPQ-UHFFFAOYSA-N
Compound name
1-hydroxy-2-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

78
Patents

254.0579 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.065176 151.1
[M+Na]+ 277.047118 162.0
[M-H]- 253.050624 156.2
[M+NH4]+ 272.091723 170.1
[M+K]+ 293.021058 157.9
[M+H-H2O]+ 237.055160 144.7
[M+HCOO]- 299.056101 171.4
[M+CH3COO]- 313.071751 195.2
[M+Na-2H]- 275.032566 157.8
[M]+ 254.05735142 153.7
[M]- 254.05844858 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