CID 15542635

154422-97-6

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

COC1=CC=CC=C1C2=CCNCC2

InChI

InChI=1S/C12H15NO/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10/h2-6,13H,7-9H2,1H3

InChIKey

BYHRWYVRKPRAPH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 189.11537 Da
Monoisotopic Mass: 1.6
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]+	190.122646	141.7
[M+Na]+	212.104588	147.7
[M-H]-	188.108094	145.2
[M+NH4]+	207.149193	159.1
[M+K]+	228.078528	144.1
[M+H-H2O]+	172.112630	134.2
[M+HCOO]-	234.113571	161.4
[M+CH3COO]-	248.129221	179.8
[M+Na-2H]-	210.090036	147.8
[M]+	189.11482142	137.7
[M]-	189.11591858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe