CID 92368

Trimelamol

Structural Information

Molecular Formula
C9H18N6O3
SMILES
CN(CO)C1=NC(=NC(=N1)N(C)CO)N(C)CO
InChI
InChI=1S/C9H18N6O3/c1-13(4-16)7-10-8(14(2)5-17)12-9(11-7)15(3)6-18/h16-18H,4-6H2,1-3H3
InChIKey
MHVFYGIQJNFWGQ-UHFFFAOYSA-N
Compound name
[[4,6-bis[hydroxymethyl(methyl)amino]-1,3,5-triazin-2-yl]-methylamino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

1989
Patents

258.14404 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15132 158.0
[M+Na]+ 281.13326 163.7
[M-H]- 257.13676 158.3
[M+NH4]+ 276.17786 170.0
[M+K]+ 297.10720 164.4
[M+H-H2O]+ 241.14130 148.7
[M+HCOO]- 303.14224 179.5
[M+CH3COO]- 317.15789 206.1
[M+Na-2H]- 279.11871 162.8
[M]+ 258.14349 160.4
[M]- 258.14459 160.4
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

No patent data available for this compound.