CID 442632

Gamma-coniceine

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CCCC1=NCCCC1

InChI

InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3

InChIKey

PQSOVRNZJIENNW-UHFFFAOYSA-N

Compound name

6-propyl-2,3,4,5-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 53
Patents: 125.12045 Da
Monoisotopic Mass: 1.2
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]+	126.12773	127.5
[M+Na]+	148.10967	133.2
[M-H]-	124.11317	128.9
[M+NH4]+	143.15427	148.3
[M+K]+	164.08361	132.1
[M+H-H2O]+	108.11771	121.2
[M+HCOO]-	170.11865	148.2
[M+CH3COO]-	184.13430	171.8
[M+Na-2H]-	146.09512	134.3
[M]+	125.11990	124.6
[M]-	125.12100	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe