CID 79521100

5-methyl-1-(pyrimidin-2-yl)-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C7H8N6
SMILES
CC1=NC(=NN1C2=NC=CC=N2)N
InChI
InChI=1S/C7H8N6/c1-5-11-6(8)12-13(5)7-9-3-2-4-10-7/h2-4H,1H3,(H2,8,12)
InChIKey
MWTGHVCGODRVHD-UHFFFAOYSA-N
Compound name
5-methyl-1-pyrimidin-2-yl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08104 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.088316 137.0
[M+Na]+ 199.070258 147.8
[M-H]- 175.073764 137.6
[M+NH4]+ 194.114863 151.8
[M+K]+ 215.044198 144.2
[M+H-H2O]+ 159.078300 127.1
[M+HCOO]- 221.079241 158.1
[M+CH3COO]- 235.094891 149.6
[M+Na-2H]- 197.055706 144.0
[M]+ 176.08049142 136.1
[M]- 176.08158858 136.1
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.