CID 14918502

3,5-dimethyl-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC1CNCC(=C1)C

InChI

InChI=1S/C7H13N/c1-6-3-7(2)5-8-4-6/h3,6,8H,4-5H2,1-2H3

InChIKey

BTGJKEHAMBVEBR-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1,2,3,6-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 111.1048 Da
Monoisotopic Mass: 0.7
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	123.3
[M+Na]+	134.094018	130.1
[M-H]-	110.097524	124.0
[M+NH4]+	129.138623	144.3
[M+K]+	150.067958	128.3
[M+H-H2O]+	94.102060	117.8
[M+HCOO]-	156.103001	142.8
[M+CH3COO]-	170.118651	167.1
[M+Na-2H]-	132.079466	129.5
[M]+	111.10425142	118.6
[M]-	111.10534858	118.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.