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

4
Patents

159.05316 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 130.3
[M+Na]+ 182.04238 137.4
[M-H]- 158.04588 131.6
[M+NH4]+ 177.08698 149.3
[M+K]+ 198.01632 138.0
[M+H-H2O]+ 142.05042 124.7
[M+HCOO]- 204.05136 150.1
[M+CH3COO]- 218.06701 171.5
[M+Na-2H]- 180.02783 134.4
[M]+ 159.05261 130.2
[M]- 159.05371 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