CID 11593477

66309-83-9

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC1CC2=C(C1=O)C=C(C=C2)C

InChI

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

InChIKey

MFCLOAFNUWAGGB-UHFFFAOYSA-N

Compound name

2,6-dimethyl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 160.08882 Da
Monoisotopic Mass: 2.6
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]+	161.09610	131.6
[M+Na]+	183.07804	141.7
[M-H]-	159.08154	136.9
[M+NH4]+	178.12264	156.1
[M+K]+	199.05198	138.8
[M+H-H2O]+	143.08608	127.1
[M+HCOO]-	205.08702	155.2
[M+CH3COO]-	219.10267	179.7
[M+Na-2H]-	181.06349	136.6
[M]+	160.08827	132.2
[M]-	160.08937	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe