CID 20121277

161793-04-0

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=COC=C1C2=NC(=NN2)N
InChI
InChI=1S/C6H6N4O/c7-6-8-5(9-10-6)4-1-2-11-3-4/h1-3H,(H3,7,8,9,10)
InChIKey
IEQIGPAJUVBSDC-UHFFFAOYSA-N
Compound name
5-(furan-3-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.05415 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.061426 125.1
[M+Na]+ 173.043368 135.6
[M-H]- 149.046874 128.0
[M+NH4]+ 168.087973 143.3
[M+K]+ 189.017308 133.9
[M+H-H2O]+ 133.051410 117.3
[M+HCOO]- 195.052351 149.3
[M+CH3COO]- 209.068001 139.4
[M+Na-2H]- 171.028816 132.0
[M]+ 150.05360142 124.8
[M]- 150.05469858 124.8
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