CID 28963811

(2-ethoxy-5-nitrophenyl)methanol

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])CO

InChI

InChI=1S/C9H11NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-5,11H,2,6H2,1H3

InChIKey

JOOFPLFFIISCIY-UHFFFAOYSA-N

Compound name

(2-ethoxy-5-nitrophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.0688 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]+	198.07608	139.0
[M+Na]+	220.05802	151.9
[M+NH4]+	215.10262	146.6
[M+K]+	236.03196	149.0
[M-H]-	196.06152	141.4
[M+Na-2H]-	218.04347	144.6
[M]+	197.06825	141.3
[M]-	197.06935	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe