CID 115739

2,4-oxazolidinedione, 5-hexyl-5-methyl-, sodium salt

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CCCCCCC1(C(=O)NC(=O)O1)C

InChI

InChI=1S/C10H17NO3/c1-3-4-5-6-7-10(2)8(12)11-9(13)14-10/h3-7H2,1-2H3,(H,11,12,13)

InChIKey

ZFPGSIQEMLXXAA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 199.12085 Da
Monoisotopic Mass: 2.6
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]+	200.128126	143.0
[M+Na]+	222.110068	150.7
[M-H]-	198.113574	144.3
[M+NH4]+	217.154673	163.0
[M+K]+	238.084008	149.6
[M+H-H2O]+	182.118110	138.2
[M+HCOO]-	244.119051	162.4
[M+CH3COO]-	258.134701	181.4
[M+Na-2H]-	220.095516	147.0
[M]+	199.12030142	144.4
[M]-	199.12139858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe