CID 3051127

67293-02-1

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1C(C(C2=C1C=C(C=C2)O)O)N

InChI

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

InChIKey

HCSLVUIHZMSYAG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.07898 Da
Monoisotopic Mass: -0.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.