CID 11788834

Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCOC(=O)C1=NC=C(O1)C(C)(C)C
InChI
InChI=1S/C10H15NO3/c1-5-13-9(12)8-11-6-7(14-8)10(2,3)4/h6H,5H2,1-4H3
InChIKey
XJAFBPCIGZMUPR-UHFFFAOYSA-N
Compound name
ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

197.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 142.9
[M+Na]+ 220.094418 151.4
[M-H]- 196.097924 146.3
[M+NH4]+ 215.139023 162.0
[M+K]+ 236.068358 152.2
[M+H-H2O]+ 180.102460 137.5
[M+HCOO]- 242.103401 164.1
[M+CH3COO]- 256.119051 183.2
[M+Na-2H]- 218.079866 148.3
[M]+ 197.10465142 147.8
[M]- 197.10574858 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

No literature data available for this compound.

Patent stripe

patents stripe