CID 113778

63716-77-8

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CCN(CC)CCOC(=O)C1CC2CCN1CC2

InChI

InChI=1S/C14H26N2O2/c1-3-15(4-2)9-10-18-14(17)13-11-12-5-7-16(13)8-6-12/h12-13H,3-11H2,1-2H3

InChIKey

UOFIKNKQTSXENW-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 1-azabicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 254.19943 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]+	255.206706	162.3
[M+Na]+	277.188648	163.2
[M-H]-	253.192154	157.6
[M+NH4]+	272.233253	182.4
[M+K]+	293.162588	162.6
[M+H-H2O]+	237.196690	155.9
[M+HCOO]-	299.197631	172.3
[M+CH3COO]-	313.213281	206.6
[M+Na-2H]-	275.174096	169.6
[M]+	254.19888142	165.4
[M]-	254.19997858	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe