CID 212592

Pivalic acid, 2-piperidinoethyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CC(C)(C)C(=O)OCCN1CCCCC1

InChI

InChI=1S/C12H23NO2/c1-12(2,3)11(14)15-10-9-13-7-5-4-6-8-13/h4-10H2,1-3H3

InChIKey

OLKWNPMJVRLURV-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 213.17288 Da
Monoisotopic Mass: 2.4
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]+	214.180156	153.0
[M+Na]+	236.162098	156.7
[M-H]-	212.165604	153.9
[M+NH4]+	231.206703	170.3
[M+K]+	252.136038	156.0
[M+H-H2O]+	196.170140	146.5
[M+HCOO]-	258.171081	169.1
[M+CH3COO]-	272.186731	187.1
[M+Na-2H]-	234.147546	156.2
[M]+	213.17233142	151.2
[M]-	213.17342858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe