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
3
Annotation Hits

3
References

2746
Patents

168.11235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.11963 136.3
[M+Na]+ 191.10157 144.5
[M-H]- 167.10507 136.6
[M+NH4]+ 186.14617 152.3
[M+K]+ 207.07551 142.5
[M+H-H2O]+ 151.10961 127.8
[M+HCOO]- 213.11055 160.9
[M+CH3COO]- 227.12620 187.7
[M+Na-2H]- 189.08702 145.9
[M]+ 168.11180 135.2
[M]- 168.11290 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.