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

8
Patents

196.14365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.150926 146.0
[M+Na]+ 219.132868 153.1
[M-H]- 195.136374 145.7
[M+NH4]+ 214.177473 160.6
[M+K]+ 235.106808 150.8
[M+H-H2O]+ 179.140910 137.3
[M+HCOO]- 241.141851 168.4
[M+CH3COO]- 255.157501 194.0
[M+Na-2H]- 217.118316 152.3
[M]+ 196.14310142 144.1
[M]- 196.14419858 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