CID 10996985

3-ethenylpiperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C=CC1CCCNC1

InChI

InChI=1S/C7H13N/c1-2-7-4-3-5-8-6-7/h2,7-8H,1,3-6H2

InChIKey

LYMGNRHDFKUCDQ-UHFFFAOYSA-N

Compound name

3-ethenylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 347
Patents: 111.1048 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]+	112.112076	124.6
[M+Na]+	134.094018	129.6
[M-H]-	110.097524	124.5
[M+NH4]+	129.138623	145.1
[M+K]+	150.067958	127.5
[M+H-H2O]+	94.102060	118.9
[M+HCOO]-	156.103001	142.9
[M+CH3COO]-	170.118651	165.5
[M+Na-2H]-	132.079466	130.5
[M]+	111.10425142	117.4
[M]-	111.10534858	117.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe