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

7
Annotation Hits: 963
References: 6577
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]+	220.165576	154.2
[M+Na]+	242.147518	158.9
[M-H]-	218.151024	148.6
[M+NH4]+	237.192123	166.5
[M+K]+	258.121458	156.1
[M+H-H2O]+	202.155560	146.3
[M+HCOO]-	264.156501	166.4
[M+CH3COO]-	278.172151	181.6
[M+Na-2H]-	240.132966	156.3
[M]+	219.15775142	150.8
[M]-	219.15884858	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe