CID 53965793

Hmmm tp245

Structural Information

Molecular Formula

C₈H₁₆N₆O₃

SMILES

COCN(COC)C1=NC(=NC(=N1)NCO)N

InChI

InChI=1S/C8H16N6O3/c1-16-4-14(5-17-2)8-12-6(9)11-7(13-8)10-3-15/h15H,3-5H2,1-2H3,(H3,9,10,11,12,13)

InChIKey

JOCMJNZFQXOCOZ-UHFFFAOYSA-N

Compound name

[[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 244.12839 Da
Monoisotopic Mass: -0.3
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]+	245.13567	152.4
[M+Na]+	267.11761	160.5
[M+NH4]+	262.16221	156.5
[M+K]+	283.09155	157.9
[M-H]-	243.12111	152.0
[M+Na-2H]-	265.10306	156.3
[M]+	244.12784	152.8
[M]-	244.12894	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe