CID 3048284

63887-36-5

Structural Information

Molecular Formula

C₁₁H₂₂NO₂

SMILES

CC[N+]1(CCCCC1)CC(=O)OCC

InChI

InChI=1S/C11H22NO2/c1-3-12(8-6-5-7-9-12)10-11(13)14-4-2/h3-10H2,1-2H3/q+1

InChIKey

RRHQXHOLBABPRV-UHFFFAOYSA-N

Compound name

ethyl 2-(1-ethylpiperidin-1-ium-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 200.16505 Da
Monoisotopic Mass: 1.8
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]+	201.172326	146.9
[M+Na]+	223.154268	151.2
[M-H]-	199.157774	148.2
[M+NH4]+	218.198873	166.4
[M+K]+	239.128208	145.0
[M+H-H2O]+	183.162310	143.6
[M+HCOO]-	245.163251	164.4
[M+CH3COO]-	259.178901	177.2
[M+Na-2H]-	221.139716	153.3
[M]+	200.16450142	143.7
[M]-	200.16559858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe