CID 4328391

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

Structural Information

Molecular Formula
C10H12N4
SMILES
CC1=CC(=C(C=C1)C2=NC(=NN2)N)C
InChI
InChI=1S/C10H12N4/c1-6-3-4-8(7(2)5-6)9-12-10(11)14-13-9/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKey
YHTHMFVYJZWWRQ-UHFFFAOYSA-N
Compound name
5-(2,4-dimethylphenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 141.6
[M+Na]+ 211.095418 151.6
[M-H]- 187.098924 143.6
[M+NH4]+ 206.140023 158.4
[M+K]+ 227.069358 146.9
[M+H-H2O]+ 171.103460 133.3
[M+HCOO]- 233.104401 163.1
[M+CH3COO]- 247.120051 154.2
[M+Na-2H]- 209.080866 146.0
[M]+ 188.10565142 139.3
[M]- 188.10674858 139.3
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

No patent data available for this compound.