CID 3079528

N,alpha-dimethyl-4-(3-(dimethylamino)propoxy)benzeneethanamine dihydrochloride

Structural Information

Molecular Formula

C₁₅H₂₆N₂O

SMILES

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

InChI

InChI=1S/C15H26N2O/c1-13(16-2)12-14-6-8-15(9-7-14)18-11-5-10-17(3)4/h6-9,13,16H,5,10-12H2,1-4H3

InChIKey

BHINADVDXKAGMD-UHFFFAOYSA-N

Compound name

1-[4-[3-(dimethylamino)propoxy]phenyl]-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.20451 Da
Monoisotopic Mass: 2.6
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]+	251.211786	163.6
[M+Na]+	273.193728	167.4
[M-H]-	249.197234	167.7
[M+NH4]+	268.238333	180.9
[M+K]+	289.167668	166.4
[M+H-H2O]+	233.201770	155.8
[M+HCOO]-	295.202711	187.8
[M+CH3COO]-	309.218361	206.7
[M+Na-2H]-	271.179176	166.3
[M]+	250.20396142	166.5
[M]-	250.20505858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe