CID 256400

67992-22-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CC(=O)OCC1=C(C=CC=N1)OC(=O)C

InChI

InChI=1S/C10H11NO4/c1-7(12)14-6-9-10(15-8(2)13)4-3-5-11-9/h3-5H,6H2,1-2H3

InChIKey

NGPCOYKRSWHSRJ-UHFFFAOYSA-N

Compound name

(3-acetyloxypyridin-2-yl)methyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 209.0688 Da
Monoisotopic Mass: 0.3
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	143.9
[M+Na]+	232.05802	155.3
[M+NH4]+	227.10262	150.0
[M+K]+	248.03196	151.0
[M-H]-	208.06152	143.4
[M+Na-2H]-	230.04347	148.9
[M]+	209.06825	145.1
[M]-	209.06935	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe