CID 216090

37096-32-5

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CNC1CC2=C(C1)C(=C(C=C2)O)O

InChI

InChI=1S/C10H13NO2/c1-11-7-4-6-2-3-9(12)10(13)8(6)5-7/h2-3,7,11-13H,4-5H2,1H3

InChIKey

SDNBIUWXOAETLE-UHFFFAOYSA-N

Compound name

2-(methylamino)-2,3-dihydro-1H-indene-4,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: 1.1
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]+	180.101916	136.2
[M+Na]+	202.083858	144.5
[M-H]-	178.087364	138.7
[M+NH4]+	197.128463	158.1
[M+K]+	218.057798	141.1
[M+H-H2O]+	162.091900	131.5
[M+HCOO]-	224.092841	158.1
[M+CH3COO]-	238.108491	179.4
[M+Na-2H]-	200.069306	141.2
[M]+	179.09409142	134.2
[M]-	179.09518858	134.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.