CID 71432942

2-(3-aminooxetan-3-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CO1)(CCO)N

InChI

InChI=1S/C5H11NO2/c6-5(1-2-7)3-8-4-5/h7H,1-4,6H2

InChIKey

JTQCSLLDJIBJGP-UHFFFAOYSA-N

Compound name

2-(3-aminooxetan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 117.07898 Da
Monoisotopic Mass: -1.0
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	123.8
[M+Na]+	140.06820	128.6
[M+NH4]+	135.11280	129.1
[M+K]+	156.04214	124.9
[M-H]-	116.07170	123.0
[M+Na-2H]-	138.05365	126.6
[M]+	117.07843	123.0
[M]-	117.07953	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe