CID 46840007

Oxetan-3-ylmethanamine

Structural Information

Molecular Formula

SMILES

C1C(CO1)CN

InChI

InChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2

InChIKey

KTHZBRAXOLUNBN-UHFFFAOYSA-N

Compound name

oxetan-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 740
Patents: 87.06841 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]+	88.075686	114.7
[M+Na]+	110.05763	120.6
[M+NH4]+	105.10223	119.7
[M+K]+	126.03157	118.0
[M-H]-	86.061134	115.0
[M+Na-2H]-	108.04308	117.4
[M]+	87.067861	114.3
[M]-	87.068959	114.3

Literature stripe

literature stripe

Patent stripe

patents stripe