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

2
Patents

199.12085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 143.0
[M+Na]+ 222.11007 150.7
[M-H]- 198.11357 144.3
[M+NH4]+ 217.15467 163.0
[M+K]+ 238.08401 149.6
[M+H-H2O]+ 182.11811 138.2
[M+HCOO]- 244.11905 162.4
[M+CH3COO]- 258.13470 181.4
[M+Na-2H]- 220.09552 147.0
[M]+ 199.12030 144.4
[M]- 199.12140 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe