CID 103784

53446-63-2

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC(C)C1CC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H14O/c1-8(2)11-7-9-5-3-4-6-10(9)12(11)13/h3-6,8,11H,7H2,1-2H3

InChIKey

WBCAKNRIXCUKPZ-UHFFFAOYSA-N

Compound name

2-propan-2-yl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 49
Patents: 174.10446 Da
Monoisotopic Mass: 3.0
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]+	175.11174	137.5
[M+Na]+	197.09368	145.9
[M-H]-	173.09718	142.3
[M+NH4]+	192.13828	161.1
[M+K]+	213.06762	143.2
[M+H-H2O]+	157.10172	132.6
[M+HCOO]-	219.10266	159.8
[M+CH3COO]-	233.11831	182.4
[M+Na-2H]-	195.07913	141.3
[M]+	174.10391	137.5
[M]-	174.10501	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe