CID 138603

3-methyloxazolidine-2,5-dione

Structural Information

Molecular Formula

SMILES

CN1CC(=O)OC1=O

InChI

InChI=1S/C4H5NO3/c1-5-2-3(6)8-4(5)7/h2H2,1H3

InChIKey

PMPAXURTFMSZSN-UHFFFAOYSA-N

Compound name

3-methyl-1,3-oxazolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 115.02694 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]+	116.03422	116.2
[M+Na]+	138.01616	126.0
[M-H]-	114.01966	119.6
[M+NH4]+	133.06076	138.2
[M+K]+	153.99010	127.1
[M+H-H2O]+	98.024200	111.4
[M+HCOO]-	160.02514	139.0
[M+CH3COO]-	174.04079	166.2
[M+Na-2H]-	136.00161	122.5
[M]+	115.02639	116.9
[M]-	115.02749	116.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe