CID 24706636

1016805-97-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1CCC(C1)OC2=C(C=CC=N2)C#N

InChI

InChI=1S/C11H12N2O/c12-8-9-4-3-7-13-11(9)14-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6H2

InChIKey

ZPMXJSCANAEKAT-UHFFFAOYSA-N

Compound name

2-cyclopentyloxypyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 188.09496 Da
Monoisotopic Mass: 2.1
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]+	189.10224	140.1
[M+Na]+	211.08418	149.3
[M-H]-	187.08768	143.9
[M+NH4]+	206.12878	157.8
[M+K]+	227.05812	144.9
[M+H-H2O]+	171.09222	126.0
[M+HCOO]-	233.09316	158.7
[M+CH3COO]-	247.10881	192.9
[M+Na-2H]-	209.06963	144.3
[M]+	188.09441	133.4
[M]-	188.09551	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe