CID 95778

5-phenyl-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC=C(C=C1)C2=NC(=NN2)N
InChI
InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChIKey
GHUDJFJZFUVPIQ-UHFFFAOYSA-N
Compound name
5-phenyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

286
Patents

160.07489 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 131.9
[M+Na]+ 183.06411 144.6
[M+NH4]+ 178.10871 139.6
[M+K]+ 199.03805 140.6
[M-H]- 159.06761 134.2
[M+Na-2H]- 181.04956 140.3
[M]+ 160.07434 134.1
[M]- 160.07544 134.1
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