CID 9964175

3-(1h-1,2,3-triazol-4-yl)aniline dihydrochloride

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC(=CC(=C1)N)C2=NNN=C2
InChI
InChI=1S/C8H8N4/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,9H2,(H,10,11,12)
InChIKey
WSRYWQPIUCQKLN-UHFFFAOYSA-N
Compound name
3-(2H-triazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

81
Patents

160.07489 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.082166 131.4
[M+Na]+ 183.064108 140.3
[M-H]- 159.067614 132.9
[M+NH4]+ 178.108713 148.6
[M+K]+ 199.038048 136.2
[M+H-H2O]+ 143.072150 122.9
[M+HCOO]- 205.073091 153.6
[M+CH3COO]- 219.088741 144.2
[M+Na-2H]- 181.049556 138.4
[M]+ 160.07434142 127.6
[M]- 160.07543858 127.6
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