CID 47003015

2-methylpropyl 4-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)COC(=O)N1CCC(CC1)CO

InChI

InChI=1S/C11H21NO3/c1-9(2)8-15-11(14)12-5-3-10(7-13)4-6-12/h9-10,13H,3-8H2,1-2H3

InChIKey

QYPIIXOLVJDESZ-UHFFFAOYSA-N

Compound name

2-methylpropyl 4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 215.15215 Da
Monoisotopic Mass: 1.5
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]+	216.159426	152.0
[M+Na]+	238.141368	155.8
[M-H]-	214.144874	151.7
[M+NH4]+	233.185973	168.4
[M+K]+	254.115308	155.0
[M+H-H2O]+	198.149410	145.4
[M+HCOO]-	260.150351	167.6
[M+CH3COO]-	274.166001	185.2
[M+Na-2H]-	236.126816	152.5
[M]+	215.15160142	149.5
[M]-	215.15269858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe