CID 2760044

551923-14-9

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

CC1CCCN(C1)C2CCNCC2

InChI

InChI=1S/C11H22N2/c1-10-3-2-8-13(9-10)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3

InChIKey

HOMQMBUOTAUPAK-UHFFFAOYSA-N

Compound name

3-methyl-1-piperidin-4-ylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 182.1783 Da
Monoisotopic Mass: 1.7
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]+	183.18558	146.7
[M+Na]+	205.16752	148.9
[M-H]-	181.17102	147.2
[M+NH4]+	200.21212	162.6
[M+K]+	221.14146	145.9
[M+H-H2O]+	165.17556	138.2
[M+HCOO]-	227.17650	159.2
[M+CH3COO]-	241.19215	179.1
[M+Na-2H]-	203.15297	148.9
[M]+	182.17775	135.6
[M]-	182.17885	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe