CID 3365553

3-aminotetrahydrofuran

Structural Information

Molecular Formula

SMILES

C1COCC1N

InChI

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

InChIKey

MIPHRQMEIYLZFZ-UHFFFAOYSA-N

Compound name

oxolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4558
Patents: 87.06841 Da
Monoisotopic Mass: -0.7
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	114.9
[M+Na]+	110.05763	124.4
[M+NH4]+	105.10223	124.2
[M+K]+	126.03157	121.5
[M-H]-	86.061134	118.1
[M+Na-2H]-	108.04308	119.6
[M]+	87.067861	116.9
[M]-	87.068959	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe