CID 52644195

1609402-78-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CCCC1(CCNCC1)C(=O)OC

InChI

InChI=1S/C10H19NO2/c1-3-4-10(9(12)13-2)5-7-11-8-6-10/h11H,3-8H2,1-2H3

InChIKey

AJUVOUMFRPXUHP-UHFFFAOYSA-N

Compound name

methyl 4-propylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.14159 Da
Monoisotopic Mass: 1.4
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]+	186.14887	144.4
[M+Na]+	208.13081	148.9
[M-H]-	184.13431	144.3
[M+NH4]+	203.17541	163.9
[M+K]+	224.10475	147.6
[M+H-H2O]+	168.13885	138.7
[M+HCOO]-	230.13979	161.2
[M+CH3COO]-	244.15544	178.3
[M+Na-2H]-	206.11626	148.5
[M]+	185.14104	140.8
[M]-	185.14214	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.