CID 59334703

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

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

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

InChI

InChI=1S/C10H11N/c1-4-10-6-5-9(7-11-10)8(2)3/h1,5-8H,2-3H3

InChIKey

QSZFTUAMYIMXLG-UHFFFAOYSA-N

Compound name

2-ethynyl-5-propan-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 145.08914 Da
Monoisotopic Mass: 2.3
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]+	146.09642	130.1
[M+Na]+	168.07836	140.3
[M-H]-	144.08186	131.0
[M+NH4]+	163.12296	148.1
[M+K]+	184.05230	136.7
[M+H-H2O]+	128.08640	117.9
[M+HCOO]-	190.08734	146.5
[M+CH3COO]-	204.10299	185.9
[M+Na-2H]-	166.06381	135.2
[M]+	145.08859	124.6
[M]-	145.08969	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe