CID 24265022

1803591-33-4

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C1=CN=CC=C1CC(CN)CO

InChI

InChI=1S/C9H14N2O/c10-6-9(7-12)5-8-1-3-11-4-2-8/h1-4,9,12H,5-7,10H2

InChIKey

KXCFZIVKJRDVEX-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3-pyridin-4-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.11061 Da
Monoisotopic Mass: -0.3
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]+	167.11789	137.0
[M+Na]+	189.09983	142.8
[M-H]-	165.10333	137.0
[M+NH4]+	184.14443	154.8
[M+K]+	205.07377	140.4
[M+H-H2O]+	149.10787	130.2
[M+HCOO]-	211.10881	158.4
[M+CH3COO]-	225.12446	178.4
[M+Na-2H]-	187.08528	142.8
[M]+	166.11006	134.5
[M]-	166.11116	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe