CID 198853

P-cyclohexylphenyl nicotinate

Structural Information

Molecular Formula

C₁₈H₁₉NO₂

SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H19NO2/c20-18(16-7-4-12-19-13-16)21-17-10-8-15(9-11-17)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6H2

InChIKey

WZPVEPWPLQMODU-UHFFFAOYSA-N

Compound name

(4-cyclohexylphenyl) pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 281.14157 Da
Monoisotopic Mass: 4.8
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]+	282.14885	167.5
[M+Na]+	304.13079	181.8
[M+NH4]+	299.17539	176.2
[M+K]+	320.10473	173.4
[M-H]-	280.13429	173.6
[M+Na-2H]-	302.11624	177.6
[M]+	281.14102	171.3
[M]-	281.14212	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe