CID 90273

23826-72-4

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

CN(C)CCNC1=CC=CC=N1

InChI

InChI=1S/C9H15N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-6H,7-8H2,1-2H3,(H,10,11)

InChIKey

PBPMFHCGVZTYHV-UHFFFAOYSA-N

Compound name

N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 70
Patents: 165.1266 Da
Monoisotopic Mass: 1.1
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]+	166.13388	136.5
[M+Na]+	188.11582	147.9
[M+NH4]+	183.16042	145.1
[M+K]+	204.08976	141.3
[M-H]-	164.11932	139.9
[M+Na-2H]-	186.10127	144.5
[M]+	165.12605	138.9
[M]-	165.12715	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe