CID 14847283

5-methoxy-3-methyl-1h-indene

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CC1=CCC2=C1C=C(C=C2)OC

InChI

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

InChIKey

VPTYSHDHSXXNEI-UHFFFAOYSA-N

Compound name

5-methoxy-3-methyl-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	131.9
[M+Na]+	183.07804	141.8
[M-H]-	159.08154	137.2
[M+NH4]+	178.12264	156.3
[M+K]+	199.05198	139.3
[M+H-H2O]+	143.08608	127.0
[M+HCOO]-	205.08702	156.8
[M+CH3COO]-	219.10267	179.1
[M+Na-2H]-	181.06349	138.5
[M]+	160.08827	134.3
[M]-	160.08937	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe