CID 83904787

2-amino-2-(oxetan-3-yl)ethanol

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CO1)C(CO)N

InChI

InChI=1S/C5H11NO2/c6-5(1-7)4-2-8-3-4/h4-5,7H,1-3,6H2

InChIKey

NUTOBRVPKDFQLQ-UHFFFAOYSA-N

Compound name

2-amino-2-(oxetan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 117.07898 Da
Monoisotopic Mass: -1.4
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]+	118.08626	125.2
[M+Na]+	140.06820	129.4
[M+NH4]+	135.11280	128.9
[M+K]+	156.04214	128.0
[M-H]-	116.07170	124.1
[M+Na-2H]-	138.05365	125.9
[M]+	117.07843	123.9
[M]-	117.07953	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe