CID 4421759

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

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC=C(C=C1)N2N=CC(=N2)N
InChI
InChI=1S/C8H8N4/c9-8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H,(H2,9,11)
InChIKey
VJOJLJGJYMRISA-UHFFFAOYSA-N
Compound name
2-phenyltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

160.07489 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 131.5
[M+Na]+ 183.06411 144.7
[M+NH4]+ 178.10871 139.6
[M+K]+ 199.03805 140.4
[M-H]- 159.06761 134.4
[M+Na-2H]- 181.04956 140.6
[M]+ 160.07434 134.0
[M]- 160.07544 134.0
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