CID 15118

5-indanol

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C1CC2=C(C1)C=C(C=C2)O

InChI

InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2

InChIKey

PEHSSTUGJUBZBI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 2317
Patents: 134.07317 Da
Monoisotopic Mass: 2.4
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]+	135.080446	125.2
[M+Na]+	157.062388	133.6
[M-H]-	133.065894	128.6
[M+NH4]+	152.106993	149.5
[M+K]+	173.036328	130.8
[M+H-H2O]+	117.070430	120.6
[M+HCOO]-	179.071371	147.8
[M+CH3COO]-	193.087021	169.6
[M+Na-2H]-	155.047836	132.1
[M]+	134.07262142	123.2
[M]-	134.07371858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe