CID 319549

Ethyl 2-amino-1,3-oxazole-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

308
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 129.5
[M+Na]+ 179.04272 138.1
[M-H]- 155.04622 132.5
[M+NH4]+ 174.08732 149.1
[M+K]+ 195.01666 138.9
[M+H-H2O]+ 139.05076 123.2
[M+HCOO]- 201.05170 153.8
[M+CH3COO]- 215.06735 175.6
[M+Na-2H]- 177.02817 135.2
[M]+ 156.05295 131.5
[M]- 156.05405 131.5
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