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]+ 245.11722 152.8
[M+Na]+ 267.09916 161.4
[M-H]- 243.10266 154.7
[M+NH4]+ 262.14376 171.0
[M+K]+ 283.07310 156.4
[M+H-H2O]+ 227.10720 147.3
[M+HCOO]- 289.10814 168.0
[M+CH3COO]- 303.12379 164.2
[M+Na-2H]- 265.08461 157.5
[M]+ 244.10939 150.3
[M]- 244.11049 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.