CID 414072

Ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)C1=C(OC(=N1)C)N
InChI
InChI=1S/C7H10N2O3/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3
InChIKey
YXSJNIOOEQDYNO-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

170.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 134.0
[M+Na]+ 193.058358 143.1
[M-H]- 169.061864 137.2
[M+NH4]+ 188.102963 153.4
[M+K]+ 209.032298 143.6
[M+H-H2O]+ 153.066400 127.9
[M+HCOO]- 215.067341 157.9
[M+CH3COO]- 229.082991 179.9
[M+Na-2H]- 191.043806 138.5
[M]+ 170.06859142 136.8
[M]- 170.06968858 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