CID 7728

5-ethyl-2-methylpyridine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CCC1=CN=C(C=C1)C

InChI

InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3

InChIKey

NTSLROIKFLNUIJ-UHFFFAOYSA-N

Compound name

5-ethyl-2-methylpyridine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 7100
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]+	122.09643	123.6
[M+Na]+	144.07837	138.0
[M+NH4]+	139.12297	133.3
[M+K]+	160.05231	130.6
[M-H]-	120.08187	126.4
[M+Na-2H]-	142.06382	132.2
[M]+	121.08860	126.5
[M]-	121.08970	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe