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

0
References

55
Patents

170.06914 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe