CID 10749486

2-(1,2,4-triazol-1-yl)aniline

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC=C(C(=C1)N)N2C=NC=N2
InChI
InChI=1S/C8H8N4/c9-7-3-1-2-4-8(7)12-6-10-5-11-12/h1-6H,9H2
InChIKey
ZZBULULHFMWHMB-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.07489 Da
Monoisotopic Mass

1.0
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