CID 3079524

126002-18-4

Structural Information

Molecular Formula

C₁₄H₂₄N₂O

SMILES

CC(CC1=CC=C(C=C1)OCCN(C)C)NC

InChI

InChI=1S/C14H24N2O/c1-12(15-2)11-13-5-7-14(8-6-13)17-10-9-16(3)4/h5-8,12,15H,9-11H2,1-4H3

InChIKey

PVLYOPZKWLVFRA-UHFFFAOYSA-N

Compound name

1-[4-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.18886 Da
Monoisotopic Mass: 2.2
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]+	237.196136	158.9
[M+Na]+	259.178078	163.2
[M-H]-	235.181584	163.3
[M+NH4]+	254.222683	176.8
[M+K]+	275.152018	162.4
[M+H-H2O]+	219.186120	151.4
[M+HCOO]-	281.187061	183.6
[M+CH3COO]-	295.202711	203.7
[M+Na-2H]-	257.163526	162.2
[M]+	236.18831142	161.5
[M]-	236.18940858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe