CID 13394318

100224-58-6

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

CC1=CC(=CC=C1)C2=CCNCC2

InChI

InChI=1S/C12H15N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-5,9,13H,6-8H2,1H3

InChIKey

IGFTXVSSZNMDBA-UHFFFAOYSA-N

Compound name

4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 173.12045 Da
Monoisotopic Mass: 2.4
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]+	174.12773	138.3
[M+Na]+	196.10967	144.3
[M-H]-	172.11317	141.8
[M+NH4]+	191.15427	156.4
[M+K]+	212.08361	140.3
[M+H-H2O]+	156.11771	131.0
[M+HCOO]-	218.11865	157.7
[M+CH3COO]-	232.13430	150.4
[M+Na-2H]-	194.09512	144.4
[M]+	173.11990	132.8
[M]-	173.12100	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe