CID 83636117

[3-amino-3-(pyridin-3-yl)propyl]dimethylamine

Structural Information

Molecular Formula

C₁₀H₁₇N₃

SMILES

CN(C)CCC(C1=CN=CC=C1)N

InChI

InChI=1S/C10H17N3/c1-13(2)7-5-10(11)9-4-3-6-12-8-9/h3-4,6,8,10H,5,7,11H2,1-2H3

InChIKey

NWCMKNZDDIKUAI-UHFFFAOYSA-N

Compound name

N',N'-dimethyl-1-pyridin-3-ylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.14224 Da
Monoisotopic Mass: 0.1
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]+	180.149516	141.9
[M+Na]+	202.131458	147.1
[M-H]-	178.134964	144.7
[M+NH4]+	197.176063	160.3
[M+K]+	218.105398	146.3
[M+H-H2O]+	162.139500	134.2
[M+HCOO]-	224.140441	165.8
[M+CH3COO]-	238.156091	190.4
[M+Na-2H]-	200.116906	147.3
[M]+	179.14169142	140.8
[M]-	179.14278858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe