CID 216088

37096-31-4

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1C(CC2=C1C=CC(=C2O)O)N

InChI

InChI=1S/C9H11NO2/c10-6-3-5-1-2-8(11)9(12)7(5)4-6/h1-2,6,11-12H,3-4,10H2

InChIKey

KRZUYDLXBYUQGK-UHFFFAOYSA-N

Compound name

2-amino-2,3-dihydro-1H-indene-4,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 165.07898 Da
Monoisotopic Mass: 0.6
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]+	166.08626	132.1
[M+Na]+	188.06820	142.5
[M+NH4]+	183.11280	140.7
[M+K]+	204.04214	139.4
[M-H]-	164.07170	133.7
[M+Na-2H]-	186.05365	136.0
[M]+	165.07843	133.7
[M]-	165.07953	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe