CID 70506

1-methoxyindan

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

COC1CCC2=CC=CC=C12

InChI

InChI=1S/C10H12O/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3

InChIKey

OOXOWBLOFXAPBK-UHFFFAOYSA-N

Compound name

1-methoxy-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 192
Patents: 148.08882 Da
Monoisotopic Mass: 2.0
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]+	149.09610	129.4
[M+Na]+	171.07804	137.8
[M-H]-	147.08154	134.1
[M+NH4]+	166.12264	153.9
[M+K]+	187.05198	135.7
[M+H-H2O]+	131.08608	124.4
[M+HCOO]-	193.08702	153.2
[M+CH3COO]-	207.10267	175.3
[M+Na-2H]-	169.06349	136.2
[M]+	148.08827	129.6
[M]-	148.08937	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe