CID 2758852

71002-71-6

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C

InChI

InChI=1S/C10H11NO4/c1-3-7-4-8(6(2)12)10(13)9(5-7)11(14)15/h4-5,13H,3H2,1-2H3

InChIKey

HRSNNEAZJXNKEX-UHFFFAOYSA-N

Compound name

1-(5-ethyl-2-hydroxy-3-nitrophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.0688 Da
Monoisotopic Mass: 2.4
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]+	210.07608	142.5
[M+Na]+	232.05802	155.2
[M+NH4]+	227.10262	149.5
[M+K]+	248.03196	153.1
[M-H]-	208.06152	144.5
[M+Na-2H]-	230.04347	147.2
[M]+	209.06825	144.6
[M]-	209.06935	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe