CID 9813894

4-oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (4s)-

Structural Information

Molecular Formula
C13H13NO5
SMILES
C1=CC=C(C=C1)COC(=O)CC[C@H]2C(=O)OC(=O)N2
InChI
InChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17)/t10-/m0/s1
InChIKey
UGCBVSDSTGUPBC-JTQLQIEISA-N
Compound name
benzyl 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

263.07938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.086656 156.5
[M+Na]+ 286.068598 163.0
[M-H]- 262.072104 161.0
[M+NH4]+ 281.113203 171.1
[M+K]+ 302.042538 161.4
[M+H-H2O]+ 246.076640 149.2
[M+HCOO]- 308.077581 176.0
[M+CH3COO]- 322.093231 190.3
[M+Na-2H]- 284.054046 158.6
[M]+ 263.07883142 157.5
[M]- 263.07992858 157.5
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