CID 67957653

3-(pyridin-2-yl)oxetan-3-amine

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1C(CO1)(C2=CC=CC=N2)N

InChI

InChI=1S/C8H10N2O/c9-8(5-11-6-8)7-3-1-2-4-10-7/h1-4H,5-6,9H2

InChIKey

JQBFKBADOCVRJL-UHFFFAOYSA-N

Compound name

3-pyridin-2-yloxetan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 150.07932 Da
Monoisotopic Mass: -0.8
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]+	151.086596	127.5
[M+Na]+	173.068538	133.8
[M-H]-	149.072044	133.0
[M+NH4]+	168.113143	140.8
[M+K]+	189.042478	136.4
[M+H-H2O]+	133.076580	115.9
[M+HCOO]-	195.077521	149.1
[M+CH3COO]-	209.093171	178.3
[M+Na-2H]-	171.053986	137.1
[M]+	150.07877142	134.0
[M]-	150.07986858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe