CID 148519

50982-74-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₄

SMILES

C1=CC(=C(C=C1OCCO)[N+](=O)[O-])N

InChI

InChI=1S/C8H10N2O4/c9-7-2-1-6(14-4-3-11)5-8(7)10(12)13/h1-2,5,11H,3-4,9H2

InChIKey

UTHUZYBSSBFPES-UHFFFAOYSA-N

Compound name

2-(4-amino-3-nitrophenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 218
Patents: 198.06406 Da
Monoisotopic Mass: 1.2
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]+	199.07134	138.2
[M+Na]+	221.05328	149.6
[M+NH4]+	216.09788	145.2
[M+K]+	237.02722	147.7
[M-H]-	197.05678	140.7
[M+Na-2H]-	219.03873	143.3
[M]+	198.06351	140.2
[M]-	198.06461	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe