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

56
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 142.9
[M+Na]+ 220.09442 151.4
[M-H]- 196.09792 146.3
[M+NH4]+ 215.13902 162.0
[M+K]+ 236.06836 152.2
[M+H-H2O]+ 180.10246 137.5
[M+HCOO]- 242.10340 164.1
[M+CH3COO]- 256.11905 183.2
[M+Na-2H]- 218.07987 148.3
[M]+ 197.10465 147.8
[M]- 197.10575 147.8
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