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
1
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]+ 245.11722 153.0
[M+Na]+ 267.09916 166.8
[M+NH4]+ 262.14376 162.1
[M+K]+ 283.07310 160.0
[M-H]- 243.10266 155.6
[M+Na-2H]- 265.08461 157.3
[M]+ 244.10939 155.7
[M]- 244.11049 155.7
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

No patent data available for this compound.