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: 37
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]+	130.086256	124.9
[M+Na]+	152.068198	132.6
[M-H]-	128.071704	127.5
[M+NH4]+	147.112803	146.2
[M+K]+	168.042138	133.4
[M+H-H2O]+	112.076240	119.3
[M+HCOO]-	174.077181	146.6
[M+CH3COO]-	188.092831	169.9
[M+Na-2H]-	150.053646	130.6
[M]+	129.07843142	125.1
[M]-	129.07952858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe