CID 74788713

5-ethynyl-2-(propan-2-yloxy)pyridine

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

InChI=1S/C10H11NO/c1-4-9-5-6-10(11-7-9)12-8(2)3/h1,5-8H,2-3H3

InChIKey

OGLCWVGREXXJMG-UHFFFAOYSA-N

Compound name

5-ethynyl-2-propan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.08406 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]+	162.09134	134.1
[M+Na]+	184.07328	147.0
[M+NH4]+	179.11788	139.0
[M+K]+	200.04722	137.8
[M-H]-	160.07678	127.8
[M+Na-2H]-	182.05873	138.2
[M]+	161.08351	133.4
[M]-	161.08461	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe