CID 20067384

Trimmm

Structural Information

Molecular Formula
C9H18N6O3
SMILES
COCNC1=NC(=NC(=N1)N)N(COC)COC
InChI
InChI=1S/C9H18N6O3/c1-16-4-11-8-12-7(10)13-9(14-8)15(5-17-2)6-18-3/h4-6H2,1-3H3,(H3,10,11,12,13,14)
InChIKey
QRUPLLGJMSYASL-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

258.14404 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15132 156.6
[M+Na]+ 281.13326 163.1
[M-H]- 257.13676 157.4
[M+NH4]+ 276.17786 169.0
[M+K]+ 297.10720 163.2
[M+H-H2O]+ 241.14130 146.6
[M+HCOO]- 303.14224 180.8
[M+CH3COO]- 317.15789 206.0
[M+Na-2H]- 279.11871 163.2
[M]+ 258.14349 161.0
[M]- 258.14459 161.0
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.