CID 212873

25224-49-1

Structural Information

Molecular Formula

C₁₇H₂₉NO₂

SMILES

CCN(CC)CCOC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C17H29NO2/c1-3-18(4-2)5-6-20-16(19)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,3-12H2,1-2H3

InChIKey

LDSMODRRVLYMDS-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl adamantane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 279.21982 Da
Monoisotopic Mass: 3.5
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]+	280.22710	171.1
[M+Na]+	302.20904	170.1
[M-H]-	278.21254	166.3
[M+NH4]+	297.25364	193.8
[M+K]+	318.18298	168.3
[M+H-H2O]+	262.21708	164.1
[M+HCOO]-	324.21802	177.3
[M+CH3COO]-	338.23367	213.6
[M+Na-2H]-	300.19449	178.4
[M]+	279.21927	173.6
[M]-	279.22037	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe