CID 38677

3-isoxazolidinone, 2-isopropyl-

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C)N1C(=O)CCO1

InChI

InChI=1S/C6H11NO2/c1-5(2)7-6(8)3-4-9-7/h5H,3-4H2,1-2H3

InChIKey

OODXRKGBMISMPF-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 129.07898 Da
Monoisotopic Mass: 0.3
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	126.2
[M+Na]+	152.06820	136.2
[M+NH4]+	147.11280	134.0
[M+K]+	168.04214	133.9
[M-H]-	128.07170	127.4
[M+Na-2H]-	150.05365	129.4
[M]+	129.07843	127.7
[M]-	129.07953	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe