CID 5799

Triethylenemelamine

Structural Information

Molecular Formula
C9H12N6
SMILES
C1CN1C2=NC(=NC(=N2)N3CC3)N4CC4
InChI
InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2
InChIKey
IUCJMVBFZDHPDX-UHFFFAOYSA-N
Compound name
2,4,6-tris(aziridin-1-yl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

685
References

55705
Patents

204.11235 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.119626 212.2
[M+Na]+ 227.101568 217.8
[M-H]- 203.105074 214.7
[M+NH4]+ 222.146173 207.8
[M+K]+ 243.075508 213.4
[M+H-H2O]+ 187.109610 203.3
[M+HCOO]- 249.110551 223.2
[M+CH3COO]- 263.126201 214.0
[M+Na-2H]- 225.087016 208.1
[M]+ 204.11180142 213.0
[M]- 204.11289858 213.0
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