CID 15692965

4-(ethoxycarbonyl)-3-methyl-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO5
SMILES
CCOC(=O)C1=C(ON=C1C)C(=O)O
InChI
InChI=1S/C8H9NO5/c1-3-13-8(12)5-4(2)9-14-6(5)7(10)11/h3H2,1-2H3,(H,10,11)
InChIKey
DVFPZXGRQGKNMV-UHFFFAOYSA-N
Compound name
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.04807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.055346 138.1
[M+Na]+ 222.037288 147.1
[M-H]- 198.040794 140.5
[M+NH4]+ 217.081893 156.0
[M+K]+ 238.011228 147.9
[M+H-H2O]+ 182.045330 132.5
[M+HCOO]- 244.046271 159.5
[M+CH3COO]- 258.061921 180.4
[M+Na-2H]- 220.022736 141.4
[M]+ 199.04752142 142.9
[M]- 199.04861858 142.9
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

patents stripe