CID 44754794

1245623-78-2

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

C1=CC(=CC(=C1)Cl)[C@H](CO)N

InChI

InChI=1S/C8H10ClNO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m0/s1

InChIKey

HLXHAXFWWGYXQW-QMMMGPOBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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

No literature data available for this compound.

Patent stripe

patents stripe