CID 3038633

41735-52-8

Structural Information

Molecular Formula
C8H9N5O3
SMILES
CCN1C(=NN=C1N)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H9N5O3/c1-2-12-7(10-11-8(12)9)5-3-4-6(16-5)13(14)15/h3-4H,2H2,1H3,(H2,9,11)
InChIKey
IEAPFWFAUCZGRQ-UHFFFAOYSA-N
Compound name
4-ethyl-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

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07782 143.3
[M+Na]+ 246.05976 153.1
[M-H]- 222.06326 148.3
[M+NH4]+ 241.10436 158.6
[M+K]+ 262.03370 147.8
[M+H-H2O]+ 206.06780 139.6
[M+HCOO]- 268.06874 169.3
[M+CH3COO]- 282.08439 183.3
[M+Na-2H]- 244.04521 150.7
[M]+ 223.06999 144.4
[M]- 223.07109 144.4
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.