CID 14439317

Ethyl 5-formylisoxazole-3-carboxylate

Structural Information

Molecular Formula
C7H7NO4
SMILES
CCOC(=O)C1=NOC(=C1)C=O
InChI
InChI=1S/C7H7NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3-4H,2H2,1H3
InChIKey
AGGPRSBKBRLUMV-UHFFFAOYSA-N
Compound name
ethyl 5-formyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

169.0375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 132.7
[M+Na]+ 192.02672 143.4
[M+NH4]+ 187.07132 139.0
[M+K]+ 208.00066 141.6
[M-H]- 168.03022 132.9
[M+Na-2H]- 190.01217 136.4
[M]+ 169.03695 133.9
[M]- 169.03805 133.9
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