CID 845934

1h-inden-1-one, 3-(acetyloxy)-2-(2,4,6-trimethylphenyl)-

Structural Information

Molecular Formula
C20H18O3
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C2=O)OC(=O)C)C
InChI
InChI=1S/C20H18O3/c1-11-9-12(2)17(13(3)10-11)18-19(22)15-7-5-6-8-16(15)20(18)23-14(4)21/h5-10H,1-4H3
InChIKey
CYSZMKSQBPQJOR-UHFFFAOYSA-N
Compound name
[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

306.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 170.4
[M+Na]+ 329.11480 181.3
[M-H]- 305.11830 179.6
[M+NH4]+ 324.15940 189.1
[M+K]+ 345.08874 176.8
[M+H-H2O]+ 289.12284 163.9
[M+HCOO]- 351.12378 193.3
[M+CH3COO]- 365.13943 209.3
[M+Na-2H]- 327.10025 170.5
[M]+ 306.12503 175.7
[M]- 306.12613 175.7
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

patents stripe