CID 8280

Paramethadione

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CCC1(C(=O)N(C(=O)O1)C)C

InChI

InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3

InChIKey

VQASKUSHBVDKGU-UHFFFAOYSA-N

Compound name

5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 21
References: 5070
Patents: 157.0739 Da
Monoisotopic Mass: 0.8
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]+	158.08118	126.7
[M+Na]+	180.06312	137.1
[M-H]-	156.06662	130.4
[M+NH4]+	175.10772	149.5
[M+K]+	196.03706	137.7
[M+H-H2O]+	140.07116	122.8
[M+HCOO]-	202.07210	148.6
[M+CH3COO]-	216.08775	176.1
[M+Na-2H]-	178.04857	132.3
[M]+	157.07335	129.3
[M]-	157.07445	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe