CID 6438252

1-styrylpiperidine

Structural Information

Molecular Formula

C₁₃H₁₇N

SMILES

C1CCN(CC1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C13H17N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-9,12H,2,5-6,10-11H2/b12-9+

InChIKey

PAFMWEOWHZKACA-FMIVXFBMSA-N

Compound name

1-[(E)-2-phenylethenyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 187.1361 Da
Monoisotopic Mass: 3.3
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]+	188.14338	143.3
[M+Na]+	210.12532	147.6
[M-H]-	186.12882	147.2
[M+NH4]+	205.16992	161.0
[M+K]+	226.09926	143.9
[M+H-H2O]+	170.13336	135.3
[M+HCOO]-	232.13430	162.6
[M+CH3COO]-	246.14995	181.3
[M+Na-2H]-	208.11077	149.0
[M]+	187.13555	137.4
[M]-	187.13665	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe