CID 33203

Brn 2367788

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CN(C)CCOCCC1=CC=C(C=C1)N

InChI

InChI=1S/C12H20N2O/c1-14(2)8-10-15-9-7-11-3-5-12(13)6-4-11/h3-6H,7-10,13H2,1-2H3

InChIKey

PRZXBOAQZBQCGZ-UHFFFAOYSA-N

Compound name

4-[2-[2-(dimethylamino)ethoxy]ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.15756 Da
Monoisotopic Mass: 1.4
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]+	209.16484	149.4
[M+Na]+	231.14678	154.8
[M-H]-	207.15028	153.5
[M+NH4]+	226.19138	168.2
[M+K]+	247.12072	153.6
[M+H-H2O]+	191.15482	142.2
[M+HCOO]-	253.15576	175.1
[M+CH3COO]-	267.17141	196.1
[M+Na-2H]-	229.13223	153.9
[M]+	208.15701	150.9
[M]-	208.15811	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe