CID 319549

Ethyl 2-aminooxazole-4-carboxylate

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CCOC(=O)C1=COC(=N1)N
InChI
InChI=1S/C6H8N2O3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
InChIKey
NBABLVASYFPOEV-UHFFFAOYSA-N
Compound name
ethyl 2-amino-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

304
Patents

156.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 130.4
[M+Na]+ 179.04272 140.1
[M+NH4]+ 174.08732 137.0
[M+K]+ 195.01666 138.7
[M-H]- 155.04622 131.4
[M+Na-2H]- 177.02817 134.1
[M]+ 156.05295 131.7
[M]- 156.05405 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe