CID 162567

Scytalone

Structural Information

Molecular Formula
C10H10O4
SMILES
C1[C@H](CC(=O)C2=C1C=C(C=C2O)O)O
InChI
InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2/t7-/m1/s1
InChIKey
RTWVXIIKUFSDJB-SSDOTTSWSA-N
Compound name
(3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

52
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 137.0
[M+Na]+ 217.047118 145.8
[M-H]- 193.050624 138.2
[M+NH4]+ 212.091723 156.0
[M+K]+ 233.021058 142.4
[M+H-H2O]+ 177.055160 132.4
[M+HCOO]- 239.056101 154.7
[M+CH3COO]- 253.071751 177.3
[M+Na-2H]- 215.032566 142.0
[M]+ 194.05735142 134.4
[M]- 194.05844858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.