CID 18402883

162752-17-2

Structural Information

Molecular Formula

C₁₃H₁₆O

SMILES

CC(C)(C)C1=CC2=C(CCC2=O)C=C1

InChI

InChI=1S/C13H16O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8H,5,7H2,1-3H3

InChIKey

VICFYSNYODVXCU-UHFFFAOYSA-N

Compound name

6-tert-butyl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 188.12012 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.12740	142.1
[M+Na]+	211.10934	154.3
[M+NH4]+	206.15394	151.7
[M+K]+	227.08328	149.4
[M-H]-	187.11284	144.2
[M+Na-2H]-	209.09479	147.5
[M]+	188.11957	144.5
[M]-	188.12067	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe