CID 3054440

Brn 2301670

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C20H20O4/c1-11-9-14(19(2,3)4)16(21)15(10-11)20(24)17(22)12-7-5-6-8-13(12)18(20)23/h5-10,21,24H,1-4H3
InChIKey
KYRPTEYTYAPRAK-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 174.7
[M+Na]+ 347.12539 185.2
[M-H]- 323.12889 181.2
[M+NH4]+ 342.16999 193.4
[M+K]+ 363.09933 180.3
[M+H-H2O]+ 307.13343 170.0
[M+HCOO]- 369.13437 192.7
[M+CH3COO]- 383.15002 206.3
[M+Na-2H]- 345.11084 177.0
[M]+ 324.13562 177.1
[M]- 324.13672 177.1
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.