CID 10034780

3-(furan-2-yl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=COC(=C1)C2=NC(=NN2)N
InChI
InChI=1S/C6H6N4O/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKey
PXCDIRKSCUAMKA-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

150.05415 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 125.1
[M+Na]+ 173.04337 135.6
[M-H]- 149.04687 128.0
[M+NH4]+ 168.08797 143.3
[M+K]+ 189.01731 133.9
[M+H-H2O]+ 133.05141 117.3
[M+HCOO]- 195.05235 149.3
[M+CH3COO]- 209.06800 139.4
[M+Na-2H]- 171.02882 132.0
[M]+ 150.05360 124.8
[M]- 150.05470 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

literature stripe

Patent stripe

patents stripe