CID 85412290

4-amino-4-(pyridin-3-yl)butan-1-ol

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

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

InChI

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

InChIKey

KGHCMNWTCFZSDK-UHFFFAOYSA-N

Compound name

4-amino-4-pyridin-3-ylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.11061 Da
Monoisotopic Mass: -0.2
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