CID 362790

Nsc627068

Structural Information

Molecular Formula
C13H14N2O6
SMILES
C1C(ONC1=O)C(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O6/c16-10-6-9(21-15-10)11(12(17)18)14-13(19)20-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,14,19)(H,15,16)(H,17,18)
InChIKey
FTSYTOLWGZNPPH-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-oxazolidin-5-yl)-2-(phenylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.08517 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09245 163.7
[M+Na]+ 317.07439 167.1
[M-H]- 293.07789 166.6
[M+NH4]+ 312.11899 175.4
[M+K]+ 333.04833 166.5
[M+H-H2O]+ 277.08243 156.0
[M+HCOO]- 339.08337 180.9
[M+CH3COO]- 353.09902 195.6
[M+Na-2H]- 315.05984 164.4
[M]+ 294.08462 161.9
[M]- 294.08572 161.9
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.