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]+ 257.113206 156.8
[M+Na]+ 279.095148 163.7
[M-H]- 255.098654 160.1
[M+NH4]+ 274.139753 172.8
[M+K]+ 295.069088 165.2
[M+H-H2O]+ 239.103190 150.4
[M+HCOO]- 301.104131 178.3
[M+CH3COO]- 315.119781 194.1
[M+Na-2H]- 277.080596 161.1
[M]+ 256.10538142 162.6
[M]- 256.10647858 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.