CID 205574

Ethanol, 2-phenoxy-, nicotinate, hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C(C=C1)OCCOC(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H13NO3/c16-14(12-5-4-8-15-11-12)18-10-9-17-13-6-2-1-3-7-13/h1-8,11H,9-10H2

InChIKey

UUKRLHOSQNZWEN-UHFFFAOYSA-N

Compound name

2-phenoxyethyl pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 243.08954 Da
Monoisotopic Mass: 2.6
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]+	244.096816	153.4
[M+Na]+	266.078758	159.8
[M-H]-	242.082264	158.3
[M+NH4]+	261.123363	168.7
[M+K]+	282.052698	157.3
[M+H-H2O]+	226.086800	144.6
[M+HCOO]-	288.087741	176.3
[M+CH3COO]-	302.103391	190.1
[M+Na-2H]-	264.064206	160.3
[M]+	243.08899142	155.7
[M]-	243.09008858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe