CID 28395428

3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1COC(=O)N1CCC(=O)O
InChI
InChI=1S/C6H9NO4/c8-5(9)1-2-7-3-4-11-6(7)10/h1-4H2,(H,8,9)
InChIKey
BEFOFDIMBJZEPI-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

159.05316 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 130.3
[M+Na]+ 182.042378 137.4
[M-H]- 158.045884 131.6
[M+NH4]+ 177.086983 149.3
[M+K]+ 198.016318 138.0
[M+H-H2O]+ 142.050420 124.7
[M+HCOO]- 204.051361 150.1
[M+CH3COO]- 218.067011 171.5
[M+Na-2H]- 180.027826 134.4
[M]+ 159.05261142 130.2
[M]- 159.05370858 130.2
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