CID 23511620

Tert-butyl 2-(piperidin-4-yl)acetate

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC(C)(C)OC(=O)CC1CCNCC1

InChI

InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3

InChIKey

HIAIZEPNWNXJBP-UHFFFAOYSA-N

Compound name

tert-butyl 2-piperidin-4-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 199.15723 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]+	200.164506	149.2
[M+Na]+	222.146448	152.9
[M-H]-	198.149954	148.9
[M+NH4]+	217.191053	166.3
[M+K]+	238.120388	151.5
[M+H-H2O]+	182.154490	143.2
[M+HCOO]-	244.155431	164.1
[M+CH3COO]-	258.171081	181.4
[M+Na-2H]-	220.131896	152.4
[M]+	199.15668142	145.1
[M]-	199.15777858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe