CID 74788704

2-ethynyl-5-isopropoxypyridine

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

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

InChI

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

InChIKey

DCJZZOAIQFMABF-UHFFFAOYSA-N

Compound name

2-ethynyl-5-propan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 161.08406 Da
Monoisotopic Mass: 1.9
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	132.8
[M+Na]+	184.07328	142.9
[M-H]-	160.07678	133.6
[M+NH4]+	179.11788	150.2
[M+K]+	200.04722	139.9
[M+H-H2O]+	144.08132	120.4
[M+HCOO]-	206.08226	149.4
[M+CH3COO]-	220.09791	187.7
[M+Na-2H]-	182.05873	137.8
[M]+	161.08351	128.5
[M]-	161.08461	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe