CID 13557523

41038-69-1

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

C1=CC(=CN=C1)CCCN

InChI

InChI=1S/C8H12N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5,9H2

InChIKey

CORPZWBVJRCLMW-UHFFFAOYSA-N

Compound name

3-pyridin-3-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 280
Patents: 136.10005 Da
Monoisotopic Mass: 0.4
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]+	137.107326	128.0
[M+Na]+	159.089268	135.1
[M-H]-	135.092774	129.6
[M+NH4]+	154.133873	148.0
[M+K]+	175.063208	132.9
[M+H-H2O]+	119.097310	121.4
[M+HCOO]-	181.098251	152.1
[M+CH3COO]-	195.113901	175.1
[M+Na-2H]-	157.074716	136.2
[M]+	136.09950142	126.3
[M]-	136.10059858	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe