CID 19063442

1-(pyridin-4-yl)propan-1-amine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCC(C1=CC=NC=C1)N

InChI

InChI=1S/C8H12N2/c1-2-8(9)7-3-5-10-6-4-7/h3-6,8H,2,9H2,1H3

InChIKey

VGFZORUFTNLGLI-UHFFFAOYSA-N

Compound name

1-pyridin-4-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 136.10005 Da
Monoisotopic Mass: 0.6
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]+	137.10733	128.5
[M+Na]+	159.08927	140.5
[M+NH4]+	154.13387	137.3
[M+K]+	175.06321	134.3
[M-H]-	135.09277	131.0
[M+Na-2H]-	157.07472	136.0
[M]+	136.09950	130.8
[M]-	136.10060	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe