CID 104556

4719-04-4

Structural Information

Molecular Formula

C₉H₂₁N₃O₃

SMILES

C1N(CN(CN1CCO)CCO)CCO

InChI

InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2

InChIKey

HUHGPYXAVBJSJV-UHFFFAOYSA-N

Compound name

2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 14
References: 6283
Patents: 219.1583 Da
Monoisotopic Mass: -1.6
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]+	220.16558	153.0
[M+Na]+	242.14752	161.0
[M+NH4]+	237.19212	157.5
[M+K]+	258.12146	157.1
[M-H]-	218.15102	150.1
[M+Na-2H]-	240.13297	153.7
[M]+	219.15775	152.7
[M]-	219.15885	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe