CID 4962056

510703-88-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CC(=CN=C1)NCC2=CC=CO2

InChI

InChI=1S/C10H10N2O/c1-3-9(7-11-5-1)12-8-10-4-2-6-13-10/h1-7,12H,8H2

InChIKey

NIFAQXVJISHQLB-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 174.07932 Da
Monoisotopic Mass: 1.4
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]+	175.08660	134.0
[M+Na]+	197.06854	141.6
[M-H]-	173.07204	140.1
[M+NH4]+	192.11314	152.8
[M+K]+	213.04248	140.1
[M+H-H2O]+	157.07658	126.5
[M+HCOO]-	219.07752	159.6
[M+CH3COO]-	233.09317	148.0
[M+Na-2H]-	195.05399	143.0
[M]+	174.07877	134.3
[M]-	174.07987	134.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.