CID 6868790

33078-89-6

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=COC(=C1)/C=N/N2C=NN=C2
InChI
InChI=1S/C7H6N4O/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H/b10-4+
InChIKey
ULWDENLECZLBSK-ONNFQVAWSA-N
Compound name
(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

162.05415 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 129.3
[M+Na]+ 185.04337 142.1
[M+NH4]+ 180.08797 136.9
[M+K]+ 201.01731 140.3
[M-H]- 161.04687 132.7
[M+Na-2H]- 183.02882 138.0
[M]+ 162.05360 131.9
[M]- 162.05470 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.