CID 205422

17943-28-1

Structural Information

Molecular Formula

C₁₃H₂₃NO₂

SMILES

CC(C)C(=O)OC1CCCN2C1CCCC2

InChI

InChI=1S/C13H23NO2/c1-10(2)13(15)16-12-7-5-9-14-8-4-3-6-11(12)14/h10-12H,3-9H2,1-2H3

InChIKey

AKINKDOLVIOTCB-UHFFFAOYSA-N

Compound name

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.17288 Da
Monoisotopic Mass: 2.7
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]+	226.180156	154.6
[M+Na]+	248.162098	157.1
[M-H]-	224.165604	155.7
[M+NH4]+	243.206703	171.9
[M+K]+	264.136038	155.8
[M+H-H2O]+	208.170140	147.4
[M+HCOO]-	270.171081	167.6
[M+CH3COO]-	284.186731	190.7
[M+Na-2H]-	246.147546	155.7
[M]+	225.17233142	149.1
[M]-	225.17342858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.