CID 79891

Dodecyl selenide

Structural Information

Molecular Formula

C₂₄H₅₀Se

SMILES

CCCCCCCCCCCC[Se]CCCCCCCCCCCC

InChI

InChI=1S/C24H50Se/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

InChIKey

KUUNNVBBPBDFJZ-UHFFFAOYSA-N

Compound name

1-dodecylselanyldodecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 175
Patents: 418.30777 Da
Monoisotopic Mass: None
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]+	419.31505	216.6
[M+Na]+	441.29699	215.4
[M-H]-	417.30049	212.7
[M+NH4]+	436.34159	229.3
[M+K]+	457.27093	209.9
[M+H-H2O]+	401.30503	208.0
[M+HCOO]-	463.30597	233.3
[M+CH3COO]-	477.32162	226.7
[M+Na-2H]-	439.28244	212.2
[M]+	418.30722	225.2
[M]-	418.30832	225.2

Literature stripe

literature stripe

Patent stripe

patents stripe