CID 115737

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

Structural Information

Molecular Formula
C11H19NO3
SMILES
CCCCCCCC1(C(=O)NC(=O)O1)C
InChI
InChI=1S/C11H19NO3/c1-3-4-5-6-7-8-11(2)9(13)12-10(14)15-11/h3-8H2,1-2H3,(H,12,13,14)
InChIKey
LFFKDVJOPRRIEE-UHFFFAOYSA-N
Compound name
5-heptyl-5-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.13649 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 147.6
[M+Na]+ 236.12571 154.8
[M-H]- 212.12921 148.7
[M+NH4]+ 231.17031 167.0
[M+K]+ 252.09965 153.4
[M+H-H2O]+ 196.13375 142.6
[M+HCOO]- 258.13469 166.6
[M+CH3COO]- 272.15034 184.4
[M+Na-2H]- 234.11116 151.0
[M]+ 213.13594 149.3
[M]- 213.13704 149.3
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