CID 62217044

Tert-butyl 3-(piperidin-4-yl)propanoate

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CC(C)(C)OC(=O)CCC1CCNCC1

InChI

InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)5-4-10-6-8-13-9-7-10/h10,13H,4-9H2,1-3H3

InChIKey

XIFYQVRZWPGXAU-UHFFFAOYSA-N

Compound name

tert-butyl 3-piperidin-4-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 213.17288 Da
Monoisotopic Mass: 1.7
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]+	214.18016	153.8
[M+Na]+	236.16210	157.0
[M-H]-	212.16560	153.2
[M+NH4]+	231.20670	170.3
[M+K]+	252.13604	155.4
[M+H-H2O]+	196.17014	147.5
[M+HCOO]-	258.17108	168.3
[M+CH3COO]-	272.18673	184.5
[M+Na-2H]-	234.14755	156.4
[M]+	213.17233	150.1
[M]-	213.17343	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe