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: 171
Patents: 258.14404 Da
Monoisotopic Mass: 0.2
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe