CID 14853161

2027496-47-3

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

C1=CC=C(C(=C1)C(CO)N)Cl

InChI

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

InChIKey

HALZSHRJUMADMG-UHFFFAOYSA-N

Compound name

2-amino-2-(2-chlorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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]+	172.05237	133.8
[M+Na]+	194.03431	141.9
[M-H]-	170.03781	135.8
[M+NH4]+	189.07891	154.0
[M+K]+	210.00825	137.8
[M+H-H2O]+	154.04235	129.5
[M+HCOO]-	216.04329	152.3
[M+CH3COO]-	230.05894	177.7
[M+Na-2H]-	192.01976	138.9
[M]+	171.04454	132.9
[M]-	171.04564	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe