CID 54692896

3,5-dimethyl 4-hydroxy-1,2-oxazole-3,5-dicarboxylate

Structural Information

Molecular Formula
C7H7NO6
SMILES
COC(=O)C1=C(C(=NO1)C(=O)OC)O
InChI
InChI=1S/C7H7NO6/c1-12-6(10)3-4(9)5(14-8-3)7(11)13-2/h9H,1-2H3
InChIKey
OOXRCWZAGNGPEY-UHFFFAOYSA-N
Compound name
dimethyl 4-hydroxy-1,2-oxazole-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

201.02734 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.034616 135.9
[M+Na]+ 224.016558 145.2
[M-H]- 200.020064 138.4
[M+NH4]+ 219.061163 153.6
[M+K]+ 239.990498 146.8
[M+H-H2O]+ 184.024600 130.2
[M+HCOO]- 246.025541 157.8
[M+CH3COO]- 260.041191 179.0
[M+Na-2H]- 222.002006 139.8
[M]+ 201.02679142 141.6
[M]- 201.02788858 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.