CID 3761988

5-(4-tert-butylphenyl)-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C12H16N4
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)N
InChI
InChI=1S/C12H16N4/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h4-7H,1-3H3,(H3,13,14,15,16)
InChIKey
CUOJWWPOIXAHTI-UHFFFAOYSA-N
Compound name
5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

216.1375 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 151.6
[M+Na]+ 239.12672 160.2
[M-H]- 215.13022 153.4
[M+NH4]+ 234.17132 167.2
[M+K]+ 255.10066 155.6
[M+H-H2O]+ 199.13476 143.5
[M+HCOO]- 261.13570 170.8
[M+CH3COO]- 275.15135 187.8
[M+Na-2H]- 237.11217 156.4
[M]+ 216.13695 149.0
[M]- 216.13805 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe