CID 135033706

(3r)-3,8,9,10-tetrahydroxy-6-methyl-3,4-dihydroanthracen-1(2h)-one

Structural Information

Molecular Formula
C15H14O5
SMILES
CC1=CC2=C(C(=C1)O)C(=C3C(=C2O)C[C@H](CC3=O)O)O
InChI
InChI=1S/C15H14O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-3,7,16-17,19-20H,4-5H2,1H3/t7-/m1/s1
InChIKey
KKXGLTXTYPCGPF-SSDOTTSWSA-N
Compound name
(3R)-3,8,9,10-tetrahydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 157.9
[M+Na]+ 297.07336 167.7
[M-H]- 273.07686 159.1
[M+NH4]+ 292.11796 174.4
[M+K]+ 313.04730 163.0
[M+H-H2O]+ 257.08140 152.7
[M+HCOO]- 319.08234 171.9
[M+CH3COO]- 333.09799 194.7
[M+Na-2H]- 295.05881 161.0
[M]+ 274.08359 156.8
[M]- 274.08469 156.8
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

No patent data available for this compound.