CID 58321

Ethyl 3-quinuclidinyl carbonate

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CCOC(=O)OC1CN2CCC1CC2

InChI

InChI=1S/C10H17NO3/c1-2-13-10(12)14-9-7-11-5-3-8(9)4-6-11/h8-9H,2-7H2,1H3

InChIKey

AEHHEWLGTKWBQI-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 199.12085 Da
Monoisotopic Mass: 1.5
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]+	200.128126	143.4
[M+Na]+	222.110068	146.9
[M-H]-	198.113574	138.4
[M+NH4]+	217.154673	165.7
[M+K]+	238.084008	146.4
[M+H-H2O]+	182.118110	138.1
[M+HCOO]-	244.119051	153.7
[M+CH3COO]-	258.134701	188.2
[M+Na-2H]-	220.095516	153.3
[M]+	199.12030142	146.3
[M]-	199.12139858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe