CID 11586434

114578-70-0

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CCOC(=O)C1=CC=CC(=N1)C(=O)C

InChI

InChI=1S/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3

InChIKey

COYXIUHSZNHMAS-UHFFFAOYSA-N

Compound name

ethyl 6-acetylpyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 14
Patents: 193.0739 Da
Monoisotopic Mass: 1.4
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]+	194.081176	139.4
[M+Na]+	216.063118	147.4
[M-H]-	192.066624	141.9
[M+NH4]+	211.107723	157.6
[M+K]+	232.037058	146.5
[M+H-H2O]+	176.071160	132.8
[M+HCOO]-	238.072101	161.5
[M+CH3COO]-	252.087751	183.5
[M+Na-2H]-	214.048566	144.1
[M]+	193.07335142	142.2
[M]-	193.07444858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe