CID 521197

1,2-indanediol

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1C(C(C2=CC=CC=C21)O)O

InChI

InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2

InChIKey

YKXXBEOXRPZVCC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 328
Patents: 150.06808 Da
Monoisotopic Mass: 0.5
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]+	151.075356	128.5
[M+Na]+	173.057298	137.3
[M-H]-	149.060804	130.9
[M+NH4]+	168.101903	151.6
[M+K]+	189.031238	134.1
[M+H-H2O]+	133.065340	124.3
[M+HCOO]-	195.066281	149.7
[M+CH3COO]-	209.081931	170.1
[M+Na-2H]-	171.042746	134.3
[M]+	150.06753142	126.5
[M]-	150.06862858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe