CID 7127789

23000-15-9

Structural Information

Molecular Formula
C8H11NO3
SMILES
CCOC(=O)C1=C(OC(=N1)C)C
InChI
InChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)12-6(3)9-7/h4H2,1-3H3
InChIKey
UIJNXKDPFUQGEF-UHFFFAOYSA-N
Compound name
ethyl 2,5-dimethyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 133.1
[M+Na]+ 192.06312 142.8
[M-H]- 168.06662 136.7
[M+NH4]+ 187.10772 153.3
[M+K]+ 208.03706 143.6
[M+H-H2O]+ 152.07116 127.5
[M+HCOO]- 214.07210 156.4
[M+CH3COO]- 228.08775 178.6
[M+Na-2H]- 190.04857 137.9
[M]+ 169.07335 138.1
[M]- 169.07445 138.1
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