CID 24265034

3-amino-2-[(4-chlorophenyl)methyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

C1=CC(=CC=C1CC(CN)CO)Cl

InChI

InChI=1S/C10H14ClNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5-7,12H2

InChIKey

VADAEETYCLIBDE-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3-(4-chlorophenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.07639 Da
Monoisotopic Mass: 1.4
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]+	200.083666	143.1
[M+Na]+	222.065608	150.3
[M-H]-	198.069114	144.7
[M+NH4]+	217.110213	162.2
[M+K]+	238.039548	145.7
[M+H-H2O]+	182.073650	138.3
[M+HCOO]-	244.074591	161.0
[M+CH3COO]-	258.090241	183.7
[M+Na-2H]-	220.051056	147.1
[M]+	199.07584142	143.0
[M]-	199.07693858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe