CID 137704385

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

Structural Information

Molecular Formula
C7H7NO5
SMILES
COC(=O)C1=CON=C1C(=O)OC
InChI
InChI=1S/C7H7NO5/c1-11-6(9)4-3-13-8-5(4)7(10)12-2/h3H,1-2H3
InChIKey
VSJSWPSTHPUHTG-UHFFFAOYSA-N
Compound name
dimethyl 1,2-oxazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.03242 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.039696 133.3
[M+Na]+ 208.021638 142.4
[M-H]- 184.025144 137.0
[M+NH4]+ 203.066243 152.3
[M+K]+ 223.995578 144.4
[M+H-H2O]+ 168.029680 127.5
[M+HCOO]- 230.030621 156.7
[M+CH3COO]- 244.046271 178.0
[M+Na-2H]- 206.007086 138.3
[M]+ 185.03187142 139.1
[M]- 185.03296858 139.1
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

No patent data available for this compound.