CID 43842006

Ethyl 4-amino-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CCOC(=O)C1=NOC=C1N
InChI
InChI=1S/C6H8N2O3/c1-2-10-6(9)5-4(7)3-11-8-5/h3H,2,7H2,1H3
InChIKey
ONTSEXDZCMYQRG-UHFFFAOYSA-N
Compound name
ethyl 4-amino-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.0535 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe