CID 11970433

26513-18-8

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₅

SMILES

CCOC1=NC(=NC(=N1)OCC2CO2)OCC3CO3

InChI

InChI=1S/C11H15N3O5/c1-2-15-9-12-10(18-5-7-3-16-7)14-11(13-9)19-6-8-4-17-8/h7-8H,2-6H2,1H3

InChIKey

MABUNFPSJVOXHZ-UHFFFAOYSA-N

Compound name

2-ethoxy-4,6-bis(oxiran-2-ylmethoxy)-1,3,5-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.10117 Da
Monoisotopic Mass: 0.6
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]+	270.108446	185.8
[M+Na]+	292.090388	194.6
[M-H]-	268.093894	192.7
[M+NH4]+	287.134993	185.7
[M+K]+	308.064328	193.7
[M+H-H2O]+	252.098430	176.0
[M+HCOO]-	314.099371	202.2
[M+CH3COO]-	328.115021	205.7
[M+Na-2H]-	290.075836	188.6
[M]+	269.10062142	196.0
[M]-	269.10171858	196.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe