CID 3038637

41735-57-3

Structural Information

Molecular Formula
C8H8N4O4
SMILES
CN1C(=NN=C1OC)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O4/c1-11-7(9-10-8(11)15-2)5-3-4-6(16-5)12(13)14/h3-4H,1-2H3
InChIKey
KKLWAASLUXMNAA-UHFFFAOYSA-N
Compound name
3-methoxy-4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05455 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06183 142.6
[M+Na]+ 247.04377 153.2
[M-H]- 223.04727 148.1
[M+NH4]+ 242.08837 158.5
[M+K]+ 263.01771 149.0
[M+H-H2O]+ 207.05181 139.3
[M+HCOO]- 269.05275 168.4
[M+CH3COO]- 283.06840 181.4
[M+Na-2H]- 245.02922 150.4
[M]+ 224.05400 146.8
[M]- 224.05510 146.8
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

No patent data available for this compound.