CID 69523

2-isopropylpyridine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CC(C)C1=CC=CC=N1

InChI

InChI=1S/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3

InChIKey

PFYPDUUXDADWKC-UHFFFAOYSA-N

Compound name

2-propan-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6814
Patents: 121.08915 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]+	122.09643	124.2
[M+Na]+	144.07837	137.9
[M+NH4]+	139.12297	133.8
[M+K]+	160.05231	131.1
[M-H]-	120.08187	126.7
[M+Na-2H]-	142.06382	132.6
[M]+	121.08860	127.0
[M]-	121.08970	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe