CID 204746

Wv 362

Structural Information

Molecular Formula

C₁₄H₂₄N₂O

SMILES

CC1=CC(=C(C=C1N)C(C)C)OCCN(C)C

InChI

InChI=1S/C14H24N2O/c1-10(2)12-9-13(15)11(3)8-14(12)17-7-6-16(4)5/h8-10H,6-7,15H2,1-5H3

InChIKey

XREANCSQIIFTTF-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.18886 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]+	237.196136	158.7
[M+Na]+	259.178078	164.9
[M-H]-	235.181584	163.4
[M+NH4]+	254.222683	177.0
[M+K]+	275.152018	163.9
[M+H-H2O]+	219.186120	151.8
[M+HCOO]-	281.187061	182.7
[M+CH3COO]-	295.202711	205.5
[M+Na-2H]-	257.163526	159.5
[M]+	236.18831142	161.1
[M]-	236.18940858	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe