CID 45789889

3-aminocyclobutanol

Structural Information

Molecular Formula

SMILES

C1C(CC1O)N

InChI

InChI=1S/C4H9NO/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2

InChIKey

JLUZCHOYSPEHES-UHFFFAOYSA-N

Compound name

3-aminocyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1340
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	114.9
[M+Na]+	110.057628	120.8
[M-H]-	86.061134	117.0
[M+NH4]+	105.102233	131.1
[M+K]+	126.031568	123.2
[M+H-H2O]+	70.065670	105.3
[M+HCOO]-	132.066611	136.6
[M+CH3COO]-	146.082261	167.5
[M+Na-2H]-	108.043076	120.6
[M]+	87.06786142	119.3
[M]-	87.06895858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe