CID 62775135

1-amino-2-(4-chlorophenyl)butan-2-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

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

InChI

InChI=1S/C10H14ClNO/c1-2-10(13,7-12)8-3-5-9(11)6-4-8/h3-6,13H,2,7,12H2,1H3

InChIKey

HXSQQBZJYJKCFM-UHFFFAOYSA-N

Compound name

1-amino-2-(4-chlorophenyl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.07639 Da
Monoisotopic Mass: 1.5
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	143.3
[M+Na]+	222.065608	151.1
[M-H]-	198.069114	145.1
[M+NH4]+	217.110213	162.5
[M+K]+	238.039548	146.5
[M+H-H2O]+	182.073650	138.9
[M+HCOO]-	244.074591	160.5
[M+CH3COO]-	258.090241	183.2
[M+Na-2H]-	220.051056	149.1
[M]+	199.07584142	143.2
[M]-	199.07693858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe