CID 17804

2827-46-5

Structural Information

Molecular Formula
C6H12N6
SMILES
CNC1=NC(=NC(=N1)NC)NC
InChI
InChI=1S/C6H12N6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3,(H3,7,8,9,10,11,12)
InChIKey
LGEXGKUJMFHVSY-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

2754
Patents

168.11235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.119626 136.3
[M+Na]+ 191.101568 144.5
[M-H]- 167.105074 136.6
[M+NH4]+ 186.146173 152.3
[M+K]+ 207.075508 142.5
[M+H-H2O]+ 151.109610 127.8
[M+HCOO]- 213.110551 160.9
[M+CH3COO]- 227.126201 187.7
[M+Na-2H]- 189.087016 145.9
[M]+ 168.11180142 135.2
[M]- 168.11289858 135.2
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