CID 54692896

Dimethyl 4-hydroxyisoxazole-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 138.9
[M+Na]+ 224.01656 148.1
[M+NH4]+ 219.06116 143.5
[M+K]+ 239.99050 148.8
[M-H]- 200.02006 137.4
[M+Na-2H]- 222.00201 140.5
[M]+ 201.02679 139.3
[M]- 201.02789 139.3
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.