CID 5483518

7532-52-7

Structural Information

Molecular Formula
C6H5N5O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=NC(=NN2)N
InChI
InChI=1S/C6H5N5O3/c7-6-8-5(9-10-6)3-1-2-4(14-3)11(12)13/h1-2H,(H3,7,8,9,10)
InChIKey
QCSNLRSZAWODFY-UHFFFAOYSA-N
Compound name
5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.03925 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04653 133.1
[M+Na]+ 218.02847 142.4
[M-H]- 194.03197 136.7
[M+NH4]+ 213.07307 148.5
[M+K]+ 234.00241 136.8
[M+H-H2O]+ 178.03651 129.6
[M+HCOO]- 240.03745 158.3
[M+CH3COO]- 254.05310 173.6
[M+Na-2H]- 216.01392 141.8
[M]+ 195.03870 131.4
[M]- 195.03980 131.4
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

patents stripe