CID 143339

1-methoxyindan-2-ol

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

COC1C(CC2=CC=CC=C12)O

InChI

InChI=1S/C10H12O2/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-11H,6H2,1H3

InChIKey

ZHWPZRVYPHGXSF-UHFFFAOYSA-N

Compound name

1-methoxy-2,3-dihydro-1H-inden-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 164.08372 Da
Monoisotopic Mass: 1.0
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]+	165.090996	132.7
[M+Na]+	187.072938	141.4
[M-H]-	163.076444	136.3
[M+NH4]+	182.117543	156.0
[M+K]+	203.046878	139.0
[M+H-H2O]+	147.080980	128.0
[M+HCOO]-	209.081921	155.1
[M+CH3COO]-	223.097571	175.7
[M+Na-2H]-	185.058386	138.3
[M]+	164.08317142	132.8
[M]-	164.08426858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe