CID 587937

143071-39-0

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

C1=CC(=NC=C1[N+](=O)[O-])OCCO

InChI

InChI=1S/C7H8N2O4/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2

InChIKey

KESQFSZFUCZCEI-UHFFFAOYSA-N

Compound name

2-(5-nitropyridin-2-yl)oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2932
Patents: 184.0484 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]+	185.05568	134.0
[M+Na]+	207.03762	146.6
[M+NH4]+	202.08222	141.0
[M+K]+	223.01156	144.4
[M-H]-	183.04112	135.6
[M+Na-2H]-	205.02307	139.9
[M]+	184.04785	135.9
[M]-	184.04895	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe