CID 81407

6957-15-9

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

CCOC(CNCC1=CC=CC=N1)OCC

InChI

InChI=1S/C12H20N2O2/c1-3-15-12(16-4-2)10-13-9-11-7-5-6-8-14-11/h5-8,12-13H,3-4,9-10H2,1-2H3

InChIKey

INTMTQABLHWPSW-UHFFFAOYSA-N

Compound name

2,2-diethoxy-N-(pyridin-2-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 224.15248 Da
Monoisotopic Mass: 0.9
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]+	225.159756	152.7
[M+Na]+	247.141698	157.5
[M-H]-	223.145204	154.1
[M+NH4]+	242.186303	169.1
[M+K]+	263.115638	156.2
[M+H-H2O]+	207.149740	144.7
[M+HCOO]-	269.150681	175.5
[M+CH3COO]-	283.166331	192.7
[M+Na-2H]-	245.127146	158.5
[M]+	224.15193142	155.7
[M]-	224.15302858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe