CID 100167

Einecs 221-692-2

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CC(C)CC1C(=O)OC(=O)N1

InChI

InChI=1S/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)

InChIKey

JHWZWIVZROVFEM-UHFFFAOYSA-N

Compound name

4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 157.0739 Da
Monoisotopic Mass: 1.3
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]+	158.08118	131.8
[M+Na]+	180.06312	139.6
[M-H]-	156.06662	133.4
[M+NH4]+	175.10772	151.4
[M+K]+	196.03706	139.5
[M+H-H2O]+	140.07116	126.7
[M+HCOO]-	202.07210	151.1
[M+CH3COO]-	216.08775	173.6
[M+Na-2H]-	178.04857	134.7
[M]+	157.07335	131.1
[M]-	157.07445	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe