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: 1258
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	115.9
[M+Na]+	110.05763	121.2
[M+NH4]+	105.10223	120.6
[M+K]+	126.03157	118.7
[M-H]-	86.061134	114.5
[M+Na-2H]-	108.04308	118.1
[M]+	87.067861	114.8
[M]-	87.068959	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe