CID 113056

63134-26-9

Structural Information

Molecular Formula

C₁₂H₁₇NO₆

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCCOCCOCCO

InChI

InChI=1S/C12H17NO6/c14-5-6-17-7-8-18-9-10-19-12-3-1-11(2-4-12)13(15)16/h1-4,14H,5-10H2

InChIKey

HHMZBDBWIQZVMN-UHFFFAOYSA-N

Compound name

2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 271.1056 Da
Monoisotopic Mass: 0.7
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]+	272.11288	158.7
[M+Na]+	294.09482	169.5
[M+NH4]+	289.13942	164.5
[M+K]+	310.06876	166.9
[M-H]-	270.09832	159.9
[M+Na-2H]-	292.08027	162.8
[M]+	271.10505	160.2
[M]-	271.10615	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe