CID 94205

2-ethylpiperidine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCC1CCCCN1

InChI

InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3

InChIKey

QBBKKFZGCDJDQK-UHFFFAOYSA-N

Compound name

2-ethylpiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 3717
Patents: 113.12045 Da
Monoisotopic Mass: 1.6
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]+	114.12773	126.0
[M+Na]+	136.10967	130.6
[M-H]-	112.11317	125.8
[M+NH4]+	131.15427	146.4
[M+K]+	152.08361	129.1
[M+H-H2O]+	96.117710	120.1
[M+HCOO]-	158.11865	144.0
[M+CH3COO]-	172.13430	166.4
[M+Na-2H]-	134.09512	131.7
[M]+	113.11990	119.4
[M]-	113.12100	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe