CID 441072

(2s)-2-propylpiperidine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC[C@H]1CCCCN1

InChI

InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1

InChIKey

NDNUANOUGZGEPO-QMMMGPOBSA-N

Compound name

(2S)-2-propylpiperidine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 64
References: 3789
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]+	128.143376	130.5
[M+Na]+	150.125318	134.7
[M-H]-	126.128824	130.2
[M+NH4]+	145.169923	150.4
[M+K]+	166.099258	132.9
[M+H-H2O]+	110.133360	124.4
[M+HCOO]-	172.134301	148.2
[M+CH3COO]-	186.149951	169.4
[M+Na-2H]-	148.110766	135.7
[M]+	127.13555142	124.3
[M]-	127.13664858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.