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

8
Patents

184.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 138.7
[M+Na]+ 207.07402 147.4
[M-H]- 183.07752 141.8
[M+NH4]+ 202.11862 157.6
[M+K]+ 223.04796 147.6
[M+H-H2O]+ 167.08206 132.4
[M+HCOO]- 229.08300 162.3
[M+CH3COO]- 243.09865 182.9
[M+Na-2H]- 205.05947 142.6
[M]+ 184.08425 141.9
[M]- 184.08535 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