CID 81185

6682-59-3

Structural Information

Molecular Formula

C₁₅H₂₀O

SMILES

CC1=CC2=C(CCC2(C)C)C(=C1C)C(=O)C

InChI

InChI=1S/C15H20O/c1-9-8-13-12(6-7-15(13,4)5)14(10(9)2)11(3)16/h8H,6-7H2,1-5H3

InChIKey

BJZMOVNSHDQGTK-UHFFFAOYSA-N

Compound name

1-(1,1,5,6-tetramethyl-2,3-dihydroinden-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.15141 Da
Monoisotopic Mass: 4.0
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]+	217.158686	148.1
[M+Na]+	239.140628	158.1
[M-H]-	215.144134	153.5
[M+NH4]+	234.185233	172.7
[M+K]+	255.114568	154.8
[M+H-H2O]+	199.148670	144.0
[M+HCOO]-	261.149611	169.3
[M+CH3COO]-	275.165261	193.3
[M+Na-2H]-	237.126076	150.3
[M]+	216.15086142	150.2
[M]-	216.15195858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe