CID 231178

6-methoxy-2-methyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

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

InChI

InChI=1S/C11H12O2/c1-7-5-8-3-4-9(13-2)6-10(8)11(7)12/h3-4,6-7H,5H2,1-2H3

InChIKey

VXKMGRRBRAIZKF-UHFFFAOYSA-N

Compound name

6-methoxy-2-methyl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 155
Patents: 176.08372 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]+	177.090996	134.9
[M+Na]+	199.072938	144.9
[M-H]-	175.076444	140.2
[M+NH4]+	194.117543	158.7
[M+K]+	215.046878	142.5
[M+H-H2O]+	159.080980	130.2
[M+HCOO]-	221.081921	158.7
[M+CH3COO]-	235.097571	181.7
[M+Na-2H]-	197.058386	139.9
[M]+	176.08317142	137.0
[M]-	176.08426858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe