CID 63157558

2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC1=NC=C(C=C1)C2=CCNCC2

InChI

InChI=1S/C11H14N2/c1-9-2-3-11(8-13-9)10-4-6-12-7-5-10/h2-4,8,12H,5-7H2,1H3

InChIKey

BZVPPEUJUXJDHD-UHFFFAOYSA-N

Compound name

2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 174.11569 Da
Monoisotopic Mass: 1.0
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]+	175.122966	138.8
[M+Na]+	197.104908	145.3
[M-H]-	173.108414	140.9
[M+NH4]+	192.149513	155.4
[M+K]+	213.078848	141.2
[M+H-H2O]+	157.112950	130.7
[M+HCOO]-	219.113891	157.2
[M+CH3COO]-	233.129541	150.5
[M+Na-2H]-	195.090356	145.5
[M]+	174.11514142	133.5
[M]-	174.11623858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe