CID 216645

Benzeneethanamine, 4-butoxy-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCCCOC1=CC=C(C=C1)CCN

InChI

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

InChIKey

OIOGOZZYBQRPLA-UHFFFAOYSA-N

Compound name

2-(4-butoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
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]+	194.15395	144.9
[M+Na]+	216.13589	156.7
[M+NH4]+	211.18049	153.5
[M+K]+	232.10983	149.2
[M-H]-	192.13939	147.9
[M+Na-2H]-	214.12134	151.5
[M]+	193.14612	147.4
[M]-	193.14722	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe