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: 13039
Patents: 306.12878 Da
Monoisotopic Mass: -2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.13606	164.9
[M+Na]+	329.11800	169.3
[M+NH4]+	324.16260	165.9
[M+K]+	345.09194	170.7
[M-H]-	305.12150	161.3
[M+Na-2H]-	327.10345	165.3
[M]+	306.12823	163.5
[M]-	306.12933	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe