CID 13007

1-ethylpiperidine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCN1CCCCC1

InChI

InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3

InChIKey

HTLZVHNRZJPSMI-UHFFFAOYSA-N

Compound name

1-ethylpiperidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 99327
Patents: 113.12045 Da
Monoisotopic Mass: 2.0
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]+	114.127726	125.1
[M+Na]+	136.109668	130.2
[M-H]-	112.113174	126.4
[M+NH4]+	131.154273	146.3
[M+K]+	152.083608	129.6
[M+H-H2O]+	96.117710	119.0
[M+HCOO]-	158.118651	144.6
[M+CH3COO]-	172.134301	169.1
[M+Na-2H]-	134.095116	131.4
[M]+	113.11990142	120.4
[M]-	113.12099858	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe