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]+ 275.091416 157.9
[M+Na]+ 297.073358 167.7
[M-H]- 273.076864 159.1
[M+NH4]+ 292.117963 174.4
[M+K]+ 313.047298 163.0
[M+H-H2O]+ 257.081400 152.7
[M+HCOO]- 319.082341 171.9
[M+CH3COO]- 333.097991 194.7
[M+Na-2H]- 295.058806 161.0
[M]+ 274.08359142 156.8
[M]- 274.08468858 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.