CID 7727

5-ethyl-2-methylpiperidine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC1CCC(NC1)C

InChI

InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3

InChIKey

XOFNHZHCGBPVGJ-UHFFFAOYSA-N

Compound name

5-ethyl-2-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 352
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
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]+	128.14338	129.7
[M+Na]+	150.12532	140.7
[M+NH4]+	145.16992	138.8
[M+K]+	166.09926	134.1
[M-H]-	126.12882	131.3
[M+Na-2H]-	148.11077	134.7
[M]+	127.13555	131.5
[M]-	127.13665	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe