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

6
Patents

145.0375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04478 124.9
[M+Na]+ 168.02672 133.5
[M-H]- 144.03022 126.9
[M+NH4]+ 163.07132 144.9
[M+K]+ 184.00066 134.3
[M+H-H2O]+ 128.03476 120.0
[M+HCOO]- 190.03570 145.1
[M+CH3COO]- 204.05135 169.7
[M+Na-2H]- 166.01217 129.0
[M]+ 145.03695 124.9
[M]- 145.03805 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