CID 15582693

86186-69-8

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CCC1=NC(=C(O1)N)C(=O)OCC
InChI
InChI=1S/C8H12N2O3/c1-3-5-10-6(7(9)13-5)8(11)12-4-2/h3-4,9H2,1-2H3
InChIKey
SBLSFVDVLXXQSQ-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-ethyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 138.7
[M+Na]+ 207.074018 147.4
[M-H]- 183.077524 141.8
[M+NH4]+ 202.118623 157.6
[M+K]+ 223.047958 147.6
[M+H-H2O]+ 167.082060 132.4
[M+HCOO]- 229.083001 162.3
[M+CH3COO]- 243.098651 182.9
[M+Na-2H]- 205.059466 142.6
[M]+ 184.08425142 141.9
[M]- 184.08534858 141.9
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