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

41
Patents

162.05415 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.061426 127.6
[M+Na]+ 185.043368 137.9
[M-H]- 161.046874 133.1
[M+NH4]+ 180.087973 146.6
[M+K]+ 201.017308 137.7
[M+H-H2O]+ 145.051410 118.9
[M+HCOO]- 207.052351 155.2
[M+CH3COO]- 221.068001 142.7
[M+Na-2H]- 183.028816 136.5
[M]+ 162.05360142 131.1
[M]- 162.05469858 131.1
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

patents stripe