CID 12753431

79221-15-1

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)C1=C(N=C(O1)N)C
InChI
InChI=1S/C7H10N2O3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)
InChIKey
LACXTUNIUGNJDW-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-methyl-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

170.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 134.0
[M+Na]+ 193.05836 143.1
[M-H]- 169.06186 137.2
[M+NH4]+ 188.10296 153.4
[M+K]+ 209.03230 143.6
[M+H-H2O]+ 153.06640 127.9
[M+HCOO]- 215.06734 157.9
[M+CH3COO]- 229.08299 179.9
[M+Na-2H]- 191.04381 138.5
[M]+ 170.06859 136.8
[M]- 170.06969 136.8
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