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
3
Annotation Hits

53
References

3758
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

literature stripe

Patent stripe

patents stripe