CID 486070

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

Structural Information

Molecular Formula
C8H6N2O4
SMILES
CC1=CON=C1C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O4/c1-5-4-13-9-8(5)6-2-3-7(14-6)10(11)12/h2-4H,1H3
InChIKey
MBJRVGOYCVSJJT-UHFFFAOYSA-N
Compound name
4-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03276 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04004 135.9
[M+Na]+ 217.02198 145.9
[M-H]- 193.02548 144.2
[M+NH4]+ 212.06658 154.1
[M+K]+ 232.99592 142.8
[M+H-H2O]+ 177.03002 134.7
[M+HCOO]- 239.03096 163.3
[M+CH3COO]- 253.04661 174.8
[M+Na-2H]- 215.00743 145.0
[M]+ 194.03221 139.7
[M]- 194.03331 139.7
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.