CID 154699594

Ns00117350

Structural Information

Molecular Formula
C15H16O3
SMILES
CC1=CC2=CC3=C(C[C@@H](CC3)O)C(=C2C(=C1)O)O
InChI
InChI=1S/C15H16O3/c1-8-4-10-6-9-2-3-11(16)7-12(9)15(18)14(10)13(17)5-8/h4-6,11,16-18H,2-3,7H2,1H3/t11-/m1/s1
InChIKey
FMMRCPMGCDHFFU-LLVKDONJSA-N
Compound name
(7R)-3-methyl-5,6,7,8-tetrahydroanthracene-1,7,9-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

244.10994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 152.8
[M+Na]+ 267.099158 161.4
[M-H]- 243.102664 154.7
[M+NH4]+ 262.143763 171.0
[M+K]+ 283.073098 156.4
[M+H-H2O]+ 227.107200 147.3
[M+HCOO]- 289.108141 168.0
[M+CH3COO]- 303.123791 164.2
[M+Na-2H]- 265.084606 157.5
[M]+ 244.10939142 150.3
[M]- 244.11048858 150.3
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.