CID 21871817

117907-42-3

Structural Information

Molecular Formula

C₉H₁₅N₃O₄

SMILES

C1=C(C(=NC(=C1N)OCCO)OCCO)N

InChI

InChI=1S/C9H15N3O4/c10-6-5-7(11)9(16-4-2-14)12-8(6)15-3-1-13/h5,13-14H,1-4,10-11H2

InChIKey

FJLWSRYKQCJGGK-UHFFFAOYSA-N

Compound name

2-[3,5-diamino-6-(2-hydroxyethoxy)pyridin-2-yl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 766
Patents: 229.10626 Da
Monoisotopic Mass: -1.3
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]+	230.11354	148.4
[M+Na]+	252.09548	155.6
[M-H]-	228.09898	147.6
[M+NH4]+	247.14008	163.0
[M+K]+	268.06942	153.3
[M+H-H2O]+	212.10352	141.2
[M+HCOO]-	274.10446	170.2
[M+CH3COO]-	288.12011	190.1
[M+Na-2H]-	250.08093	152.1
[M]+	229.10571	148.4
[M]-	229.10681	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe