CID 10402496

10200-43-8

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCOC(=O)C1=COC(=N1)C
InChI
InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
InChIKey
JRPMRQTZCURBRG-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

155.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.2
[M+Na]+ 178.04746 141.4
[M+NH4]+ 173.09206 137.4
[M+K]+ 194.02140 139.1
[M-H]- 154.05096 131.3
[M+Na-2H]- 176.03291 134.6
[M]+ 155.05769 131.9
[M]- 155.05879 131.9
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