CID 6453152

N-(2-phenoxyethyl)propylamine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCCNCCOC1=CC=CC=C1

InChI

InChI=1S/C11H17NO/c1-2-8-12-9-10-13-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3

InChIKey

FBRGWNDXBBWEHK-UHFFFAOYSA-N

Compound name

N-(2-phenoxyethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 179.13101 Da
Monoisotopic Mass: 2.4
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]+	180.138286	140.2
[M+Na]+	202.120228	145.9
[M-H]-	178.123734	143.3
[M+NH4]+	197.164833	160.0
[M+K]+	218.094168	143.9
[M+H-H2O]+	162.128270	133.7
[M+HCOO]-	224.129211	165.4
[M+CH3COO]-	238.144861	184.3
[M+Na-2H]-	200.105676	147.7
[M]+	179.13046142	141.6
[M]-	179.13155858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.