CID 83904786

3-(2-aminoethyl)oxetan-3-ol

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CO1)(CCN)O

InChI

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

InChIKey

PQIKHRFVWQGSGF-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)oxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	122.0
[M+Na]+	140.06820	127.3
[M-H]-	116.07170	124.6
[M+NH4]+	135.11280	137.4
[M+K]+	156.04214	130.9
[M+H-H2O]+	100.07624	113.0
[M+HCOO]-	162.07718	142.8
[M+CH3COO]-	176.09283	170.8
[M+Na-2H]-	138.05365	130.1
[M]+	117.07843	128.8
[M]-	117.07953	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.