CID 135565950

5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione

Structural Information

Molecular Formula
C16H16O5
SMILES
CC(=CC[C@H](C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O)O)C
InChI
InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17,20-21H,4H2,1-2H3/t10-/m1/s1
InChIKey
UNNKKUDWEASWDN-SNVBAGLBSA-N
Compound name
5,8-dihydroxy-6-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

737
References

0
Patents

288.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 164.5
[M+Na]+ 311.08898 175.4
[M+NH4]+ 306.13358 169.8
[M+K]+ 327.06292 171.3
[M-H]- 287.09248 163.7
[M+Na-2H]- 309.07443 165.9
[M]+ 288.09921 165.4
[M]- 288.10031 165.4
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.