CID 3025105

Brn 0140063

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CN(C)CCOCC1=CN=CC=C1

InChI

InChI=1S/C10H16N2O/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h3-5,8H,6-7,9H2,1-2H3

InChIKey

GNFRGVLOGOTYDN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 180.12627 Da
Monoisotopic Mass: 0.5
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]+	181.133546	140.2
[M+Na]+	203.115488	146.4
[M-H]-	179.118994	143.4
[M+NH4]+	198.160093	159.2
[M+K]+	219.089428	146.0
[M+H-H2O]+	163.123530	132.6
[M+HCOO]-	225.124471	164.9
[M+CH3COO]-	239.140121	187.4
[M+Na-2H]-	201.100936	147.5
[M]+	180.12572142	142.9
[M]-	180.12681858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe