CID 60903771

2-(butan-2-yloxy)pyridine-4-carbonitrile

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CCC(C)OC1=NC=CC(=C1)C#N

InChI

InChI=1S/C10H12N2O/c1-3-8(2)13-10-6-9(7-11)4-5-12-10/h4-6,8H,3H2,1-2H3

InChIKey

PRGOOZYYBRKHKN-UHFFFAOYSA-N

Compound name

2-butan-2-yloxypyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.09496 Da
Monoisotopic Mass: 2.2
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]+	177.10224	136.6
[M+Na]+	199.08418	146.0
[M-H]-	175.08768	138.4
[M+NH4]+	194.12878	153.6
[M+K]+	215.05812	143.9
[M+H-H2O]+	159.09222	123.3
[M+HCOO]-	221.09316	155.3
[M+CH3COO]-	235.10881	194.3
[M+Na-2H]-	197.06963	142.1
[M]+	176.09441	133.2
[M]-	176.09551	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe