CID 21644

1-propylpiperidine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCCN1CCCCC1

InChI

InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3

InChIKey

VTDIWMPYBAVEDY-UHFFFAOYSA-N

Compound name

1-propylpiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 5906
Patents: 127.1361 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]+	128.14338	129.8
[M+Na]+	150.12532	141.0
[M+NH4]+	145.16992	139.2
[M+K]+	166.09926	133.9
[M-H]-	126.12882	131.9
[M+Na-2H]-	148.11077	135.7
[M]+	127.13555	131.9
[M]-	127.13665	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe