CID 4092448

Dtxsid80659454

Structural Information

Molecular Formula

C₉H₁₄N₄O₃

SMILES

COC1=NC(=NC(=N1)N2CCOCC2)OC

InChI

InChI=1S/C9H14N4O3/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13/h3-6H2,1-2H3

InChIKey

FEDGCLDYLJUCNC-UHFFFAOYSA-N

Compound name

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 226.1066 Da
Monoisotopic Mass: 0.7
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]+	227.113876	151.0
[M+Na]+	249.095818	158.5
[M-H]-	225.099324	152.4
[M+NH4]+	244.140423	162.0
[M+K]+	265.069758	157.9
[M+H-H2O]+	209.103860	140.5
[M+HCOO]-	271.104801	166.8
[M+CH3COO]-	285.120451	187.8
[M+Na-2H]-	247.081266	157.5
[M]+	226.10605142	151.5
[M]-	226.10714858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe