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]+ 278.102306 160.2
[M+Na]+ 300.084248 167.5
[M-H]- 276.087754 166.5
[M+NH4]+ 295.128853 175.3
[M+K]+ 316.058188 167.1
[M+H-H2O]+ 260.092290 153.1
[M+HCOO]- 322.093231 179.9
[M+CH3COO]- 336.108881 197.3
[M+Na-2H]- 298.069696 160.5
[M]+ 277.09448142 163.2
[M]- 277.09557858 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

literature stripe

Patent stripe

patents stripe