CID 5483562

10187-89-0

Structural Information

Molecular Formula
C8H9N5O3
SMILES
CCNC1=NNC(=N1)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H9N5O3/c1-2-9-8-10-7(11-12-8)5-3-4-6(16-5)13(14)15/h3-4H,2H2,1H3,(H2,9,10,11,12)
InChIKey
LCVICUZEQMCUFD-UHFFFAOYSA-N
Compound name
N-ethyl-5-(5-nitrofuran-2-yl)-1H-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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07782 142.4
[M+Na]+ 246.05976 150.8
[M-H]- 222.06326 146.2
[M+NH4]+ 241.10436 157.0
[M+K]+ 262.03370 145.1
[M+H-H2O]+ 206.06780 138.5
[M+HCOO]- 268.06874 167.6
[M+CH3COO]- 282.08439 180.2
[M+Na-2H]- 244.04521 151.1
[M]+ 223.06999 142.3
[M]- 223.07109 142.3
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.