CID 3045707

Benzeneethanamine, 2-butoxy-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCCCOC1=CC=CC=C1CCN

InChI

InChI=1S/C12H19NO/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13/h4-7H,2-3,8-10,13H2,1H3

InChIKey

ACSKVLOOKNFNOI-UHFFFAOYSA-N

Compound name

2-(2-butoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 193.14667 Da
Monoisotopic Mass: 2.5
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]+	194.153946	145.2
[M+Na]+	216.135888	151.4
[M-H]-	192.139394	147.9
[M+NH4]+	211.180493	164.4
[M+K]+	232.109828	148.8
[M+H-H2O]+	176.143930	138.7
[M+HCOO]-	238.144871	169.4
[M+CH3COO]-	252.160521	187.7
[M+Na-2H]-	214.121336	150.3
[M]+	193.14612142	146.2
[M]-	193.14721858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe