CID 11788834

33123-71-6

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

13
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

No literature data available for this compound.

Patent stripe

patents stripe