CID 330183

5-hydroxymethylindane

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C1CC2=C(C1)C=C(C=C2)CO

InChI

InChI=1S/C10H12O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6,11H,1-3,7H2

InChIKey

SJKGAFDWIVOCSE-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-inden-5-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 148.08882 Da
Monoisotopic Mass: 1.9
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	130.0
[M+Na]+	171.07804	142.2
[M+NH4]+	166.12264	140.2
[M+K]+	187.05198	136.8
[M-H]-	147.08154	132.5
[M+Na-2H]-	169.06349	136.0
[M]+	148.08827	132.4
[M]-	148.08937	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe