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

12
Patents

143.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 126.8
[M+Na]+ 166.04746 134.4
[M-H]- 142.05096 129.6
[M+NH4]+ 161.09206 147.3
[M+K]+ 182.02140 136.0
[M+H-H2O]+ 126.05550 120.9
[M+HCOO]- 188.05644 149.3
[M+CH3COO]- 202.07209 170.6
[M+Na-2H]- 164.03291 133.0
[M]+ 143.05769 128.9
[M]- 143.05879 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