CID 7176093

5-(4-methylphenyl)-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C10H10N4
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)N
InChI
InChI=1S/C10H10N4/c1-7-2-4-8(5-3-7)9-6-12-14-10(11)13-9/h2-6H,1H3,(H2,11,13,14)
InChIKey
SRECBXKODHBXNE-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

186.09055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09783 139.6
[M+Na]+ 209.07977 154.9
[M+NH4]+ 204.12437 147.7
[M+K]+ 225.05371 147.8
[M-H]- 185.08327 143.4
[M+Na-2H]- 207.06522 149.8
[M]+ 186.09000 142.9
[M]- 186.09110 142.9
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