CID 3061718

79611-16-8

Structural Information

Molecular Formula
C8H12N6
SMILES
CC1CC=NN1C2=NC(=NC(=N2)N)C
InChI
InChI=1S/C8H12N6/c1-5-3-4-10-14(5)8-12-6(2)11-7(9)13-8/h4-5H,3H2,1-2H3,(H2,9,11,12,13)
InChIKey
MIGRFARSOFSYIJ-UHFFFAOYSA-N
Compound name
4-methyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11235 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.119626 144.0
[M+Na]+ 215.101568 154.4
[M-H]- 191.105074 144.6
[M+NH4]+ 210.146173 158.4
[M+K]+ 231.075508 150.7
[M+H-H2O]+ 175.109610 134.2
[M+HCOO]- 237.110551 163.4
[M+CH3COO]- 251.126201 155.9
[M+Na-2H]- 213.087016 148.6
[M]+ 192.11180142 142.5
[M]- 192.11289858 142.5
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.