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

1993
Patents

258.14404 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.151316 158.0
[M+Na]+ 281.133258 163.7
[M-H]- 257.136764 158.3
[M+NH4]+ 276.177863 170.0
[M+K]+ 297.107198 164.4
[M+H-H2O]+ 241.141300 148.7
[M+HCOO]- 303.142241 179.5
[M+CH3COO]- 317.157891 206.1
[M+Na-2H]- 279.118706 162.8
[M]+ 258.14349142 160.4
[M]- 258.14458858 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

literature stripe

Patent stripe

patents stripe