CID 137945163

2260936-39-6

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CCOC(=O)C1=CON=C1NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H16N2O5/c1-5-16-9(14)7-6-17-13-8(7)12-10(15)18-11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKey
IKHLDZHANQNTMR-UHFFFAOYSA-N
Compound name
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 156.8
[M+Na]+ 279.09515 163.7
[M-H]- 255.09865 160.1
[M+NH4]+ 274.13975 172.8
[M+K]+ 295.06909 165.2
[M+H-H2O]+ 239.10319 150.4
[M+HCOO]- 301.10413 178.3
[M+CH3COO]- 315.11978 194.1
[M+Na-2H]- 277.08060 161.1
[M]+ 256.10538 162.6
[M]- 256.10648 162.6
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

No patent data available for this compound.