CID 115729

64047-05-8

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CCCCC1(C(=O)NC(=O)O1)C

InChI

InChI=1S/C8H13NO3/c1-3-4-5-8(2)6(10)9-7(11)12-8/h3-5H2,1-2H3,(H,9,10,11)

InChIKey

CUCOSIIJLLJQIC-UHFFFAOYSA-N

Compound name

5-butyl-5-methyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.08954 Da
Monoisotopic Mass: 1.5
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]+	172.09682	133.9
[M+Na]+	194.07876	142.4
[M-H]-	170.08226	135.6
[M+NH4]+	189.12336	155.0
[M+K]+	210.05270	141.8
[M+H-H2O]+	154.08680	129.5
[M+HCOO]-	216.08774	153.9
[M+CH3COO]-	230.10339	175.3
[M+Na-2H]-	192.06421	138.9
[M]+	171.08899	134.5
[M]-	171.09009	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe