CID 11065729

3-oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4s)-

Structural Information

Molecular Formula
C14H15NO5
SMILES
CC(C)[C@H]1C(=O)OC(=O)N1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H15NO5/c1-9(2)11-12(16)20-14(18)15(11)13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
InChIKey
PBXWOGVKYLPBQY-NSHDSACASA-N
Compound name
benzyl (4S)-2,5-dioxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

277.09503 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 160.2
[M+Na]+ 300.08425 167.5
[M-H]- 276.08775 166.5
[M+NH4]+ 295.12885 175.3
[M+K]+ 316.05819 167.1
[M+H-H2O]+ 260.09229 153.1
[M+HCOO]- 322.09323 179.9
[M+CH3COO]- 336.10888 197.3
[M+Na-2H]- 298.06970 160.5
[M]+ 277.09448 163.2
[M]- 277.09558 163.2
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

No patent data available for this compound.