CID 60046

3-oxazolidineethanol

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1COCN1CCO

InChI

InChI=1S/C5H11NO2/c7-3-1-6-2-4-8-5-6/h7H,1-5H2

InChIKey

UPIKAIAOTXEAAZ-UHFFFAOYSA-N

Compound name

2-(1,3-oxazolidin-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 715
Patents: 117.07898 Da
Monoisotopic Mass: -0.7
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	122.7
[M+Na]+	140.06820	129.2
[M-H]-	116.07170	123.7
[M+NH4]+	135.11280	143.5
[M+K]+	156.04214	129.9
[M+H-H2O]+	100.07624	117.1
[M+HCOO]-	162.07718	143.1
[M+CH3COO]-	176.09283	164.0
[M+Na-2H]-	138.05365	129.1
[M]+	117.07843	121.0
[M]-	117.07953	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe