CID 59748

103394-27-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CN(C)CC(C1=CC(=CC=C1)N)O

InChI

InChI=1S/C10H16N2O/c1-12(2)7-10(13)8-4-3-5-9(11)6-8/h3-6,10,13H,7,11H2,1-2H3

InChIKey

JOOROKMKCAHFNR-UHFFFAOYSA-N

Compound name

1-(3-aminophenyl)-2-(dimethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 180.12627 Da
Monoisotopic Mass: 0.4
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]+	181.13355	141.1
[M+Na]+	203.11549	146.8
[M-H]-	179.11899	144.4
[M+NH4]+	198.16009	160.4
[M+K]+	219.08943	145.7
[M+H-H2O]+	163.12353	134.8
[M+HCOO]-	225.12447	165.0
[M+CH3COO]-	239.14012	188.4
[M+Na-2H]-	201.10094	145.0
[M]+	180.12572	139.4
[M]-	180.12682	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe