CID 14443191

81130-97-4

Structural Information

Molecular Formula
C4H5NO4
SMILES
C1[C@H](OC(=O)N1)C(=O)O
InChI
InChI=1S/C4H5NO4/c6-3(7)2-1-5-4(8)9-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKey
ITQZGBLSWNNLFL-REOHCLBHSA-N
Compound name
(5S)-2-oxo-1,3-oxazolidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

131.02185 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02913 122.0
[M+Na]+ 154.01107 129.5
[M-H]- 130.01457 122.3
[M+NH4]+ 149.05567 141.4
[M+K]+ 169.98501 129.7
[M+H-H2O]+ 114.01911 117.0
[M+HCOO]- 176.02005 141.0
[M+CH3COO]- 190.03570 162.9
[M+Na-2H]- 151.99652 126.6
[M]+ 131.02130 119.3
[M]- 131.02240 119.3
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