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]+	130.086256	125.3
[M+Na]+	152.068198	132.8
[M-H]-	128.071704	128.1
[M+NH4]+	147.112803	146.6
[M+K]+	168.042138	134.1
[M+H-H2O]+	112.076240	119.9
[M+HCOO]-	174.077181	146.1
[M+CH3COO]-	188.092831	170.8
[M+Na-2H]-	150.053646	129.8
[M]+	129.07843142	125.0
[M]-	129.07952858	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe