CID 69674

4-isopropylpyridine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CC(C)C1=CC=NC=C1

InChI

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

InChIKey

FRGXNJWEDDQLFH-UHFFFAOYSA-N

Compound name

4-propan-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 6424
Patents: 121.08915 Da
Monoisotopic Mass: 2.0
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]+	122.096426	123.6
[M+Na]+	144.078368	131.3
[M-H]-	120.081874	125.9
[M+NH4]+	139.122973	144.7
[M+K]+	160.052308	130.1
[M+H-H2O]+	104.086410	117.5
[M+HCOO]-	166.087351	146.3
[M+CH3COO]-	180.103001	171.9
[M+Na-2H]-	142.063816	131.4
[M]+	121.08860142	123.1
[M]-	121.08969858	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe