CID 212817

25007-79-8

Structural Information

Molecular Formula
C8H8N6
SMILES
C1=CC=NC(=C1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C8H8N6/c9-7-12-6(13-8(10)14-7)5-3-1-2-4-11-5/h1-4H,(H4,9,10,12,13,14)
InChIKey
MTSVIHVYYVZVLK-UHFFFAOYSA-N
Compound name
6-pyridin-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

32
Patents

188.08104 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08832 140.6
[M+Na]+ 211.07026 150.4
[M-H]- 187.07376 141.9
[M+NH4]+ 206.11486 153.8
[M+K]+ 227.04420 145.7
[M+H-H2O]+ 171.07830 130.9
[M+HCOO]- 233.07924 162.5
[M+CH3COO]- 247.09489 152.5
[M+Na-2H]- 209.05571 149.7
[M]+ 188.08049 137.1
[M]- 188.08159 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe