CID 96638

35822-55-0

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

CCOC(CNCC1=CC=NC=C1)OCC

InChI

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

InChIKey

CHSZWWRAQKHIPD-UHFFFAOYSA-N

Compound name

2,2-diethoxy-N-(pyridin-4-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 224.15248 Da
Monoisotopic Mass: 0.8
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]+	225.15976	152.7
[M+Na]+	247.14170	157.5
[M-H]-	223.14520	154.1
[M+NH4]+	242.18630	169.1
[M+K]+	263.11564	156.2
[M+H-H2O]+	207.14974	144.7
[M+HCOO]-	269.15068	175.5
[M+CH3COO]-	283.16633	192.7
[M+Na-2H]-	245.12715	158.5
[M]+	224.15193	155.7
[M]-	224.15303	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe