CID 54327806

Ethyl 4,5-dihydro-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C6H9NO3
SMILES
CCOC(=O)C1COC=N1
InChI
InChI=1S/C6H9NO3/c1-2-10-6(8)5-3-9-4-7-5/h4-5H,2-3H2,1H3
InChIKey
UCIVDFOMQXEGMO-UHFFFAOYSA-N
Compound name
ethyl 4,5-dihydro-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

143.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 126.8
[M+Na]+ 166.047458 134.4
[M-H]- 142.050964 129.6
[M+NH4]+ 161.092063 147.3
[M+K]+ 182.021398 136.0
[M+H-H2O]+ 126.055500 120.9
[M+HCOO]- 188.056441 149.3
[M+CH3COO]- 202.072091 170.6
[M+Na-2H]- 164.032906 133.0
[M]+ 143.05769142 128.9
[M]- 143.05878858 128.9
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