CID 124062

Rubiadin

Structural Information

Molecular Formula
C15H10O4
SMILES
CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
InChIKey
IRZTUXPRIUZXMP-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

58
References

528
Patents

254.0579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.065176 151.4
[M+Na]+ 277.047118 162.8
[M-H]- 253.050624 155.6
[M+NH4]+ 272.091723 170.0
[M+K]+ 293.021058 158.0
[M+H-H2O]+ 237.055160 145.7
[M+HCOO]- 299.056101 170.1
[M+CH3COO]- 313.071751 194.2
[M+Na-2H]- 275.032566 157.0
[M]+ 254.05735142 152.7
[M]- 254.05844858 152.7
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