CID 29583

Dtxsid90941130

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

CC(=C)C(=O)OCCC1CCCCN1

InChI

InChI=1S/C11H19NO2/c1-9(2)11(13)14-8-6-10-5-3-4-7-12-10/h10,12H,1,3-8H2,2H3

InChIKey

OJBREBNDWBLYNI-UHFFFAOYSA-N

Compound name

2-piperidin-2-ylethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 197.14159 Da
Monoisotopic Mass: 1.9
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]+	198.148866	148.2
[M+Na]+	220.130808	151.3
[M-H]-	196.134314	147.5
[M+NH4]+	215.175413	164.9
[M+K]+	236.104748	149.3
[M+H-H2O]+	180.138850	141.5
[M+HCOO]-	242.139791	163.7
[M+CH3COO]-	256.155441	181.8
[M+Na-2H]-	218.116256	149.3
[M]+	197.14104142	143.2
[M]-	197.14213858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe