CID 14478963

1-(4,6-dimethylpyrimidin-2-yl)-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H10N6
SMILES
CC1=CC(=NC(=N1)N2C=NC(=N2)N)C
InChI
InChI=1S/C8H10N6/c1-5-3-6(2)12-8(11-5)14-4-10-7(9)13-14/h3-4H,1-2H3,(H2,9,13)
InChIKey
ZWKZNIUUXGUVHJ-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.0967 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10398 142.3
[M+Na]+ 213.08592 153.7
[M-H]- 189.08942 143.2
[M+NH4]+ 208.13052 156.9
[M+K]+ 229.05986 149.8
[M+H-H2O]+ 173.09396 132.6
[M+HCOO]- 235.09490 163.1
[M+CH3COO]- 249.11055 154.8
[M+Na-2H]- 211.07137 147.9
[M]+ 190.09615 142.2
[M]- 190.09725 142.2
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