CID 13933564

N1-(3-pyridinylmethyl)-1,3-propanediamine

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

C1=CC(=CN=C1)CNCCCN

InChI

InChI=1S/C9H15N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,4,6,8,10H2

InChIKey

IFZYTBAJJNWAKE-UHFFFAOYSA-N

Compound name

N'-(pyridin-3-ylmethyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 165.1266 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]+	166.133876	135.8
[M+Na]+	188.115818	141.5
[M-H]-	164.119324	137.1
[M+NH4]+	183.160423	154.1
[M+K]+	204.089758	139.0
[M+H-H2O]+	148.123860	128.4
[M+HCOO]-	210.124801	160.5
[M+CH3COO]-	224.140451	183.0
[M+Na-2H]-	186.101266	143.8
[M]+	165.12605142	133.7
[M]-	165.12714858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe