CID 75492

N,n',n''-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

Structural Information

Molecular Formula
C9H18N6O3
SMILES
COCNC1=NC(=NC(=N1)NCOC)NCOC
InChI
InChI=1S/C9H18N6O3/c1-16-4-10-7-13-8(11-5-17-2)15-9(14-7)12-6-18-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15)
InChIKey
CZFJRMBYCKMYHU-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

833
Patents

258.14404 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.151316 155.5
[M+Na]+ 281.133258 161.8
[M-H]- 257.136764 155.3
[M+NH4]+ 276.177863 167.6
[M+K]+ 297.107198 160.8
[M+H-H2O]+ 241.141300 145.7
[M+HCOO]- 303.142241 179.8
[M+CH3COO]- 317.157891 203.3
[M+Na-2H]- 279.118706 163.9
[M]+ 258.14349142 159.6
[M]- 258.14458858 159.6
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