CID 412434

41870-82-0

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

C1=CC(=CC=C1C(CN)O)Cl

InChI

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

InChIKey

QPHAZZJNYDEVHL-UHFFFAOYSA-N

Compound name

2-amino-1-(4-chlorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 195
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	133.0
[M+Na]+	194.03431	145.5
[M+NH4]+	189.07891	142.0
[M+K]+	210.00825	139.2
[M-H]-	170.03781	135.4
[M+Na-2H]-	192.01976	139.8
[M]+	171.04454	135.6
[M]-	171.04564	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe