CID 82430

10187-86-7

Structural Information

Molecular Formula
C7H7N5O3
SMILES
CN1C(=NN=C1N)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C7H7N5O3/c1-11-6(9-10-7(11)8)4-2-3-5(15-4)12(13)14/h2-3H,1H3,(H2,8,10)
InChIKey
MYHQFJBXSAMNSD-UHFFFAOYSA-N
Compound name
4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06217 138.2
[M+Na]+ 232.04411 150.6
[M+NH4]+ 227.08871 144.3
[M+K]+ 248.01805 153.6
[M-H]- 208.04761 141.8
[M+Na-2H]- 230.02956 144.0
[M]+ 209.05434 140.6
[M]- 209.05544 140.6
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.