CID 12297756

38634-65-0

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC1(C(=O)CC2=CC=CC=C21)C

InChI

InChI=1S/C11H12O/c1-11(2)9-6-4-3-5-8(9)7-10(11)12/h3-6H,7H2,1-2H3

InChIKey

GUHBZTMKWQVBLU-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1H-inden-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 160.08882 Da
Monoisotopic Mass: 2.2
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]+	161.096096	131.8
[M+Na]+	183.078038	142.0
[M-H]-	159.081544	137.1
[M+NH4]+	178.122643	158.1
[M+K]+	199.051978	139.1
[M+H-H2O]+	143.086080	127.6
[M+HCOO]-	205.087021	155.5
[M+CH3COO]-	219.102671	178.0
[M+Na-2H]-	181.063486	138.5
[M]+	160.08827142	132.3
[M]-	160.08936858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe