CID 15205618

2-(3-propoxyphenyl)ethanamine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCCOC1=CC=CC(=C1)CCN

InChI

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

InChIKey

CDJFWESZVLIVIS-UHFFFAOYSA-N

Compound name

2-(3-propoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 179.13101 Da
Monoisotopic Mass: 2.1
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]+	180.13829	140.4
[M+Na]+	202.12023	152.3
[M+NH4]+	197.16483	149.1
[M+K]+	218.09417	145.1
[M-H]-	178.12373	143.4
[M+Na-2H]-	200.10568	147.2
[M]+	179.13046	142.9
[M]-	179.13156	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe