CID 62361

Hexamethylolmelamine

Structural Information

Molecular Formula
C9H18N6O6
SMILES
C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O
InChI
InChI=1S/C9H18N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h16-21H,1-6H2
InChIKey
YGCOKJWKWLYHTG-UHFFFAOYSA-N
Compound name
[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14703
Patents

306.12878 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13606 162.9
[M+Na]+ 329.11800 166.5
[M-H]- 305.12150 159.1
[M+NH4]+ 324.16260 170.4
[M+K]+ 345.09194 167.0
[M+H-H2O]+ 289.12604 153.6
[M+HCOO]- 351.12698 180.5
[M+CH3COO]- 365.14263 206.6
[M+Na-2H]- 327.10345 166.9
[M]+ 306.12823 163.9
[M]- 306.12933 163.9
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