CID 60564

1-butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (r)-

Structural Information

Molecular Formula

C₁₁H₁₆ClNO

SMILES

CCC(CO)NCC1=CC=CC=C1Cl

InChI

InChI=1S/C11H16ClNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3

InChIKey

OGFBATFFPAVFKT-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)methylamino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.09204 Da
Monoisotopic Mass: 2.2
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]+	214.099316	147.3
[M+Na]+	236.081258	154.0
[M-H]-	212.084764	149.2
[M+NH4]+	231.125863	166.0
[M+K]+	252.055198	149.5
[M+H-H2O]+	196.089300	142.2
[M+HCOO]-	258.090241	165.4
[M+CH3COO]-	272.105891	187.4
[M+Na-2H]-	234.066706	151.7
[M]+	213.09149142	148.5
[M]-	213.09258858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe