CID 11321177

Ethyl 2-vinyloxazole-4-carboxylate

Structural Information

Molecular Formula
C8H9NO3
SMILES
CCOC(=O)C1=COC(=N1)C=C
InChI
InChI=1S/C8H9NO3/c1-3-7-9-6(5-12-7)8(10)11-4-2/h3,5H,1,4H2,2H3
InChIKey
NHZCFRYMZBTWEC-UHFFFAOYSA-N
Compound name
ethyl 2-ethenyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.5
[M+Na]+ 190.04746 141.6
[M-H]- 166.05096 135.8
[M+NH4]+ 185.09206 152.4
[M+K]+ 206.02140 141.8
[M+H-H2O]+ 150.05550 126.6
[M+HCOO]- 212.05644 156.0
[M+CH3COO]- 226.07209 176.6
[M+Na-2H]- 188.03291 138.0
[M]+ 167.05769 136.5
[M]- 167.05879 136.5
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