CID 3063344

Propylamine, n-isopropyl-3-(o-methoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CC(C)NCCCC1=CC=CC=C1OC

InChI

InChI=1S/C13H21NO/c1-11(2)14-10-6-8-12-7-4-5-9-13(12)15-3/h4-5,7,9,11,14H,6,8,10H2,1-3H3

InChIKey

NOUWHBNNBLKBOA-UHFFFAOYSA-N

Compound name

3-(2-methoxyphenyl)-N-propan-2-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.16231 Da
Monoisotopic Mass: 3.4
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]+	208.169586	150.0
[M+Na]+	230.151528	155.4
[M-H]-	206.155034	153.2
[M+NH4]+	225.196133	168.8
[M+K]+	246.125468	153.5
[M+H-H2O]+	190.159570	143.4
[M+HCOO]-	252.160511	173.5
[M+CH3COO]-	266.176161	192.3
[M+Na-2H]-	228.136976	154.3
[M]+	207.16176142	151.8
[M]-	207.16285858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe