CID 228873

5445-45-4

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C1C(CC2=CC=CC=C21)CO

InChI

InChI=1S/C10H12O/c11-7-8-5-9-3-1-2-4-10(9)6-8/h1-4,8,11H,5-7H2

InChIKey

ULVJTHHSGWAIOA-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-inden-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 148.08882 Da
Monoisotopic Mass: 1.8
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	129.9
[M+Na]+	171.07804	137.9
[M-H]-	147.08154	133.2
[M+NH4]+	166.12264	153.6
[M+K]+	187.05198	134.8
[M+H-H2O]+	131.08608	125.2
[M+HCOO]-	193.08702	152.2
[M+CH3COO]-	207.10267	172.6
[M+Na-2H]-	169.06349	136.2
[M]+	148.08827	128.3
[M]-	148.08937	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe