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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.04653	133.5
[M+Na]+	218.02847	145.1
[M+NH4]+	213.07307	139.3
[M+K]+	234.00241	148.6
[M-H]-	194.03197	136.5
[M+Na-2H]-	216.01392	139.2
[M]+	195.03870	135.5
[M]-	195.03980	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe