CID 21700121

3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H7NO4
SMILES
CN1C(COC1=O)C(=O)O
InChI
InChI=1S/C5H7NO4/c1-6-3(4(7)8)2-10-5(6)9/h3H,2H2,1H3,(H,7,8)
InChIKey
BFXOZXAVSIVJKJ-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

145.0375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.044776 124.9
[M+Na]+ 168.026718 133.5
[M-H]- 144.030224 126.9
[M+NH4]+ 163.071323 144.9
[M+K]+ 184.000658 134.3
[M+H-H2O]+ 128.034760 120.0
[M+HCOO]- 190.035701 145.1
[M+CH3COO]- 204.051351 169.7
[M+Na-2H]- 166.012166 129.0
[M]+ 145.03695142 124.9
[M]- 145.03804858 124.9
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

patents stripe