CID 18465927

Ethyl oxazole-2-carboxylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
CCOC(=O)C1=NC=CO1
InChI
InChI=1S/C6H7NO3/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3
InChIKey
JYQRCIRWXOYCLA-UHFFFAOYSA-N
Compound name
ethyl 1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

141.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 124.9
[M+Na]+ 164.03181 133.5
[M-H]- 140.03531 128.1
[M+NH4]+ 159.07641 145.5
[M+K]+ 180.00575 134.9
[M+H-H2O]+ 124.03985 119.0
[M+HCOO]- 186.04079 148.8
[M+CH3COO]- 200.05644 170.3
[M+Na-2H]- 162.01726 132.0
[M]+ 141.04204 128.4
[M]- 141.04314 128.4
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