CID 8082

Piperidine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

C1CCNCC1

InChI

InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

InChIKey

NQRYJNQNLNOLGT-UHFFFAOYSA-N

Compound name

piperidine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 2640
References: 108955
Patents: 85.08915 Da
Monoisotopic Mass: 0.8
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]+	86.096426	117.2
[M+Na]+	108.07837	121.7
[M-H]-	84.081874	117.0
[M+NH4]+	103.12297	138.4
[M+K]+	124.05231	120.7
[M+H-H2O]+	68.086410	111.4
[M+HCOO]-	130.08735	135.8
[M+CH3COO]-	144.10300	159.3
[M+Na-2H]-	106.06382	124.8
[M]+	85.088601	109.5
[M]-	85.089699	109.5

Literature stripe

literature stripe

Patent stripe

patents stripe