CID 18702439

3-(2'-phenoxyethoxy)propylamine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

C1=CC=C(C=C1)OCCOCCCN

InChI

InChI=1S/C11H17NO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2

InChIKey

WQFCFMPMUNOOTQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 195.12593 Da
Monoisotopic Mass: 1.1
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]+	196.133206	143.7
[M+Na]+	218.115148	149.3
[M-H]-	194.118654	146.2
[M+NH4]+	213.159753	162.4
[M+K]+	234.089088	147.4
[M+H-H2O]+	178.123190	136.9
[M+HCOO]-	240.124131	168.5
[M+CH3COO]-	254.139781	185.6
[M+Na-2H]-	216.100596	150.1
[M]+	195.12538142	145.4
[M]-	195.12647858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe