CID 3751601

53360-89-7

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

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

InChI

InChI=1S/C8H10ClNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2

InChIKey

STJIXOUDTUPEEL-UHFFFAOYSA-N

Compound name

2-amino-1-(3-chlorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 410
Patents: 171.04509 Da
Monoisotopic Mass: 0.8
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]+	172.052366	133.8
[M+Na]+	194.034308	141.9
[M-H]-	170.037814	135.8
[M+NH4]+	189.078913	154.0
[M+K]+	210.008248	137.8
[M+H-H2O]+	154.042350	129.5
[M+HCOO]-	216.043291	152.3
[M+CH3COO]-	230.058941	177.7
[M+Na-2H]-	192.019756	138.9
[M]+	171.04454142	132.9
[M]-	171.04563858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe