CID 21031491

Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCOC(=O)C1=C(OC=N1)C(C)(C)C
InChI
InChI=1S/C10H15NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6H,5H2,1-4H3
InChIKey
YVBVIJQMJDNVFD-UHFFFAOYSA-N
Compound name
ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

197.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 143.1
[M+Na]+ 220.09442 153.4
[M+NH4]+ 215.13902 149.6
[M+K]+ 236.06836 151.7
[M-H]- 196.09792 143.4
[M+Na-2H]- 218.07987 146.7
[M]+ 197.10465 144.5
[M]- 197.10575 144.5
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

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