CID 486062

4-ethyl-3-(5-nitro-2-furyl)-isoxazole

Structural Information

Molecular Formula
C9H8N2O4
SMILES
CCC1=CON=C1C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O4/c1-2-6-5-14-10-9(6)7-3-4-8(15-7)11(12)13/h3-5H,2H2,1H3
InChIKey
XOLNSYHQAWYZGD-UHFFFAOYSA-N
Compound name
4-ethyl-3-(5-nitrofuran-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0484 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 140.9
[M+Na]+ 231.03762 150.5
[M-H]- 207.04112 149.0
[M+NH4]+ 226.08222 158.6
[M+K]+ 247.01156 147.1
[M+H-H2O]+ 191.04566 139.5
[M+HCOO]- 253.04660 168.0
[M+CH3COO]- 267.06225 177.9
[M+Na-2H]- 229.02307 149.4
[M]+ 208.04785 145.0
[M]- 208.04895 145.0
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.