CID 3025352

Sa 274

Structural Information

Molecular Formula

C₁₈H₃₃NO₂

SMILES

CCN(CC)CCOC(=O)C(C1CCCC1)C2CCCC2

InChI

InChI=1S/C18H33NO2/c1-3-19(4-2)13-14-21-18(20)17(15-9-5-6-10-15)16-11-7-8-12-16/h15-17H,3-14H2,1-2H3

InChIKey

JFDOUFFFKZWRCF-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2,2-dicyclopentylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.25113 Da
Monoisotopic Mass: 5.3
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]+	296.25841	181.2
[M+Na]+	318.24035	180.5
[M-H]-	294.24385	186.8
[M+NH4]+	313.28495	199.3
[M+K]+	334.21429	179.7
[M+H-H2O]+	278.24839	173.5
[M+HCOO]-	340.24933	199.8
[M+CH3COO]-	354.26498	208.1
[M+Na-2H]-	316.22580	175.4
[M]+	295.25058	178.6
[M]-	295.25168	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe