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]+ 186.03970 133.3
[M+Na]+ 208.02164 142.4
[M-H]- 184.02514 137.0
[M+NH4]+ 203.06624 152.3
[M+K]+ 223.99558 144.4
[M+H-H2O]+ 168.02968 127.5
[M+HCOO]- 230.03062 156.7
[M+CH3COO]- 244.04627 178.0
[M+Na-2H]- 206.00709 138.3
[M]+ 185.03187 139.1
[M]- 185.03297 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.