CID 2799399

5-morpholino-2-nitrophenol

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄

SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C10H12N2O4/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2

InChIKey

XXIIDARBNMZFEH-UHFFFAOYSA-N

Compound name

5-morpholin-4-yl-2-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 98
Patents: 224.07971 Da
Monoisotopic Mass: 1.6
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]+	225.086986	146.1
[M+Na]+	247.068928	151.2
[M-H]-	223.072434	150.5
[M+NH4]+	242.113533	159.7
[M+K]+	263.042868	146.0
[M+H-H2O]+	207.076970	142.9
[M+HCOO]-	269.077911	165.3
[M+CH3COO]-	283.093561	178.9
[M+Na-2H]-	245.054376	153.7
[M]+	224.07916142	141.2
[M]-	224.08025858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe