CID 107208

3981-39-3

Structural Information

Molecular Formula
C6H7NO5
SMILES
C(CC(=O)O)C1C(=O)OC(=O)N1
InChI
InChI=1S/C6H7NO5/c8-4(9)2-1-3-5(10)12-6(11)7-3/h3H,1-2H2,(H,7,11)(H,8,9)
InChIKey
HREIIWNNSVGCED-UHFFFAOYSA-N
Compound name
3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

173.03242 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.039696 131.8
[M+Na]+ 196.021638 139.5
[M-H]- 172.025144 132.1
[M+NH4]+ 191.066243 149.6
[M+K]+ 211.995578 139.1
[M+H-H2O]+ 156.029680 126.6
[M+HCOO]- 218.030621 150.5
[M+CH3COO]- 232.046271 171.7
[M+Na-2H]- 194.007086 134.8
[M]+ 173.03187142 131.0
[M]- 173.03296858 131.0
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