CID 38676

3-isoxazolidinone, 2-propyl-

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CCCN1C(=O)CCO1

InChI

InChI=1S/C6H11NO2/c1-2-4-7-6(8)3-5-9-7/h2-5H2,1H3

InChIKey

WOWQQULALBNEEM-UHFFFAOYSA-N

Compound name

2-propyl-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 Da
Monoisotopic Mass: 0.4
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]+	130.08626	126.0
[M+Na]+	152.06820	136.4
[M+NH4]+	147.11280	133.9
[M+K]+	168.04214	133.3
[M-H]-	128.07170	127.4
[M+Na-2H]-	150.05365	129.6
[M]+	129.07843	127.6
[M]-	129.07953	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.