CID 217273

38370-86-4

Structural Information

Molecular Formula

C₁₃H₂₅NO₂

SMILES

CC(C)(C)C(=O)OCCCN1CCCCC1

InChI

InChI=1S/C13H25NO2/c1-13(2,3)12(15)16-11-7-10-14-8-5-4-6-9-14/h4-11H2,1-3H3

InChIKey

LDCCWFOTQMVYLF-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 227.18852 Da
Monoisotopic Mass: 2.8
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]+	228.195796	157.6
[M+Na]+	250.177738	160.8
[M-H]-	226.181244	158.3
[M+NH4]+	245.222343	174.3
[M+K]+	266.151678	159.9
[M+H-H2O]+	210.185780	150.9
[M+HCOO]-	272.186721	173.3
[M+CH3COO]-	286.202371	190.1
[M+Na-2H]-	248.163186	160.3
[M]+	227.18797142	156.2
[M]-	227.18906858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe