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
1
Annotation Hits

0
References

724
Patents

258.14404 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15132 155.5
[M+Na]+ 281.13326 161.8
[M-H]- 257.13676 155.3
[M+NH4]+ 276.17786 167.6
[M+K]+ 297.10720 160.8
[M+H-H2O]+ 241.14130 145.7
[M+HCOO]- 303.14224 179.8
[M+CH3COO]- 317.15789 203.3
[M+Na-2H]- 279.11871 163.9
[M]+ 258.14349 159.6
[M]- 258.14459 159.7
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