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]+ 202.03462 135.9
[M+Na]+ 224.01656 145.2
[M-H]- 200.02006 138.4
[M+NH4]+ 219.06116 153.6
[M+K]+ 239.99050 146.8
[M+H-H2O]+ 184.02460 130.2
[M+HCOO]- 246.02554 157.8
[M+CH3COO]- 260.04119 179.0
[M+Na-2H]- 222.00201 139.8
[M]+ 201.02679 141.6
[M]- 201.02789 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.