CID 11586312

2-ethoxy-3-hydroxypyridine

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC=N1)O

InChI

InChI=1S/C7H9NO2/c1-2-10-7-6(9)4-3-5-8-7/h3-5,9H,2H2,1H3

InChIKey

XTGGQAFOLDDVQD-UHFFFAOYSA-N

Compound name

2-ethoxypyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 139.06332 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]+	140.07060	125.6
[M+Na]+	162.05254	134.4
[M-H]-	138.05604	127.0
[M+NH4]+	157.09714	145.6
[M+K]+	178.02648	133.1
[M+H-H2O]+	122.06058	119.7
[M+HCOO]-	184.06152	148.6
[M+CH3COO]-	198.07717	170.4
[M+Na-2H]-	160.03799	133.9
[M]+	139.06277	126.8
[M]-	139.06387	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe