CID 12310964

Rhababerone

Structural Information

Molecular Formula
C15H10O5
SMILES
CC1=CC2=C(C=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C15H10O5/c1-6-4-7-8(5-11(6)18)15(20)13-10(17)3-2-9(16)12(13)14(7)19/h2-5,16-18H,1H3
InChIKey
RLTYFLICIIZAKQ-UHFFFAOYSA-N
Compound name
1,4,6-trihydroxy-7-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

270.05283 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 154.8
[M+Na]+ 293.04205 166.4
[M-H]- 269.04555 157.9
[M+NH4]+ 288.08665 172.2
[M+K]+ 309.01599 161.7
[M+H-H2O]+ 253.05009 149.3
[M+HCOO]- 315.05103 172.1
[M+CH3COO]- 329.06668 195.8
[M+Na-2H]- 291.02750 159.4
[M]+ 270.05228 156.2
[M]- 270.05338 156.2
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

patents stripe