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]+ 193.11963 144.0
[M+Na]+ 215.10157 154.4
[M-H]- 191.10507 144.6
[M+NH4]+ 210.14617 158.4
[M+K]+ 231.07551 150.7
[M+H-H2O]+ 175.10961 134.2
[M+HCOO]- 237.11055 163.4
[M+CH3COO]- 251.12620 155.9
[M+Na-2H]- 213.08702 148.6
[M]+ 192.11180 142.5
[M]- 192.11290 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.