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]+ 177.08832 137.0
[M+Na]+ 199.07026 147.8
[M-H]- 175.07376 137.6
[M+NH4]+ 194.11486 151.8
[M+K]+ 215.04420 144.2
[M+H-H2O]+ 159.07830 127.1
[M+HCOO]- 221.07924 158.1
[M+CH3COO]- 235.09489 149.6
[M+Na-2H]- 197.05571 144.0
[M]+ 176.08049 136.1
[M]- 176.08159 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.