CID 3025101

102206-54-2

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CCN(CC)CCOCC1=CN=CC=C1

InChI

InChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3

InChIKey

ZXYQSKPNANNMKG-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.15756 Da
Monoisotopic Mass: 1.3
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	152.3
[M+NH4]+	226.19138	167.3
[M+K]+	247.12072	153.9
[M+H-H2O]+	191.15482	141.4
[M+HCOO]-	253.15576	173.5
[M+CH3COO]-	267.17141	193.4
[M+Na-2H]-	229.13223	155.7
[M]+	208.15701	152.9
[M]-	208.15811	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe