CID 84075359

2470439-99-5

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)C1(CCNCC1)C(=O)OC

InChI

InChI=1S/C10H19NO2/c1-8(2)10(9(12)13-3)4-6-11-7-5-10/h8,11H,4-7H2,1-3H3

InChIKey

VHLLBFXKQDJJQX-UHFFFAOYSA-N

Compound name

methyl 4-propan-2-ylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.14159 Da
Monoisotopic Mass: 1.3
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	144.8
[M+Na]+	208.13081	153.6
[M+NH4]+	203.17541	153.3
[M+K]+	224.10475	147.3
[M-H]-	184.13431	144.6
[M+Na-2H]-	206.11626	149.3
[M]+	185.14104	145.8
[M]-	185.14214	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe