CID 18672790

3-(2-phenylethoxy)propan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

C1=CC=C(C=C1)CCOCCCN

InChI

InChI=1S/C11H17NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2

InChIKey

ONEOQRJTHAYVJL-UHFFFAOYSA-N

Compound name

3-(2-phenylethoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 179.13101 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]+	180.13829	140.8
[M+Na]+	202.12023	152.4
[M+NH4]+	197.16483	149.5
[M+K]+	218.09417	144.9
[M-H]-	178.12373	143.7
[M+Na-2H]-	200.10568	147.9
[M]+	179.13046	143.2
[M]-	179.13156	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe