CID 116378

64047-10-5

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CCC1(C(=O)NC(=O)O1)CC

InChI

InChI=1S/C7H11NO3/c1-3-7(4-2)5(9)8-6(10)11-7/h3-4H2,1-2H3,(H,8,9,10)

InChIKey

LANUZOBKRIJYEJ-UHFFFAOYSA-N

Compound name

5,5-diethyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 157.0739 Da
Monoisotopic Mass: 1.2
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	129.3
[M+Na]+	180.06312	138.2
[M-H]-	156.06662	131.2
[M+NH4]+	175.10772	151.0
[M+K]+	196.03706	137.9
[M+H-H2O]+	140.07116	125.1
[M+HCOO]-	202.07210	149.6
[M+CH3COO]-	216.08775	172.3
[M+Na-2H]-	178.04857	134.8
[M]+	157.07335	129.6
[M]-	157.07445	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe