CID 11217811

112609-49-1

Structural Information

Molecular Formula
C8H16N6
SMILES
CCNC1=NC(=NC(=N1)N)NC(C)C
InChI
InChI=1S/C8H16N6/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H4,9,10,11,12,13,14)
InChIKey
WKVBVBLLDKCKBT-UHFFFAOYSA-N
Compound name
4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.14365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15093 146.0
[M+Na]+ 219.13287 153.1
[M-H]- 195.13637 145.7
[M+NH4]+ 214.17747 160.6
[M+K]+ 235.10681 150.8
[M+H-H2O]+ 179.14091 137.3
[M+HCOO]- 241.14185 168.4
[M+CH3COO]- 255.15750 194.0
[M+Na-2H]- 217.11832 152.3
[M]+ 196.14310 144.1
[M]- 196.14420 144.1
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

patents stripe