CID 3038630

41735-45-9

Structural Information

Molecular Formula
C8H9N5O3
SMILES
CNC1=NN(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C
InChI
InChI=1S/C8H9N5O3/c1-9-8-10-7(12(2)11-8)5-3-4-6(16-5)13(14)15/h3-4H,1-2H3,(H,9,11)
InChIKey
KEHFMTNJXQYUKN-UHFFFAOYSA-N
Compound name
N,1-dimethyl-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

223.07054 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07782 142.8
[M+Na]+ 246.05976 155.2
[M+NH4]+ 241.10436 148.8
[M+K]+ 262.03370 157.8
[M-H]- 222.06326 146.5
[M+Na-2H]- 244.04521 148.7
[M]+ 223.06999 145.2
[M]- 223.07109 145.2
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.