CID 15801090

94082-77-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₄

SMILES

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

InChI

InChI=1S/C10H16N2O4/c11-7-5-8(12)10(16-4-2-14)6-9(7)15-3-1-13/h5-6,13-14H,1-4,11-12H2

InChIKey

PBBRFJWECSDSDZ-UHFFFAOYSA-N

Compound name

2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2123
Patents: 228.11101 Da
Monoisotopic Mass: -0.9
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]+	229.118286	148.6
[M+Na]+	251.100228	155.4
[M-H]-	227.103734	149.0
[M+NH4]+	246.144833	164.6
[M+K]+	267.074168	153.0
[M+H-H2O]+	211.108270	142.1
[M+HCOO]-	273.109211	171.4
[M+CH3COO]-	287.124861	190.3
[M+Na-2H]-	249.085676	151.7
[M]+	228.11046142	148.5
[M]-	228.11155858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe