CID 70549

Trimethylolmelamine

Structural Information

Molecular Formula
C6H12N6O3
SMILES
C(NC1=NC(=NC(=N1)NCO)NCO)O
InChI
InChI=1S/C6H12N6O3/c13-1-7-4-10-5(8-2-14)12-6(11-4)9-3-15/h13-15H,1-3H2,(H3,7,8,9,10,11,12)
InChIKey
USDJGQLNFPZEON-UHFFFAOYSA-N
Compound name
[[4,6-bis(hydroxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

17245
Patents

216.09709 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10437 143.2
[M+Na]+ 239.08631 149.6
[M-H]- 215.08981 139.5
[M+NH4]+ 234.13091 154.8
[M+K]+ 255.06025 146.7
[M+H-H2O]+ 199.09435 134.7
[M+HCOO]- 261.09529 164.0
[M+CH3COO]- 275.11094 187.6
[M+Na-2H]- 237.07176 151.6
[M]+ 216.09654 140.7
[M]- 216.09764 140.7
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