CID 10036224

Tert-butyl 2-(piperidin-4-yloxy)acetate hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)COC1CCNCC1

InChI

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

InChIKey

PCOKVBQRZCEGTJ-UHFFFAOYSA-N

Compound name

tert-butyl 2-piperidin-4-yloxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 215.15215 Da
Monoisotopic Mass: 1.1
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	152.1
[M+Na]+	238.141368	155.6
[M-H]-	214.144874	151.7
[M+NH4]+	233.185973	168.4
[M+K]+	254.115308	154.8
[M+H-H2O]+	198.149410	145.8
[M+HCOO]-	260.150351	167.1
[M+CH3COO]-	274.166001	183.5
[M+Na-2H]-	236.126816	155.4
[M]+	215.15160142	149.5
[M]-	215.15269858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe