CID 27775

Pentamethylmelamine

Structural Information

Molecular Formula
C8H16N6
SMILES
CNC1=NC(=NC(=N1)N(C)C)N(C)C
InChI
InChI=1S/C8H16N6/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5/h1-5H3,(H,9,10,11,12)
InChIKey
XIFVTSIIYVGRHJ-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

53
References

3811
Patents

196.14365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15093 145.5
[M+Na]+ 219.13287 153.2
[M-H]- 195.13637 148.6
[M+NH4]+ 214.17747 161.8
[M+K]+ 235.10681 153.5
[M+H-H2O]+ 179.14091 136.3
[M+HCOO]- 241.14185 170.6
[M+CH3COO]- 255.15750 200.6
[M+Na-2H]- 217.11832 152.7
[M]+ 196.14310 147.7
[M]- 196.14420 147.7
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.