CID 357872

Nsc617406

Structural Information

Molecular Formula

C₁₀H₁₅NSe

SMILES

CCN(CC)[Se]C1=CC=CC=C1

InChI

InChI=1S/C10H15NSe/c1-3-11(4-2)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

GQTGTQPQZWKTRM-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenylselanylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.03697 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]+	230.04425	149.5
[M+Na]+	252.02619	154.9
[M-H]-	228.02969	153.6
[M+NH4]+	247.07079	170.0
[M+K]+	268.00013	153.6
[M+H-H2O]+	212.03423	142.4
[M+HCOO]-	274.03517	174.3
[M+CH3COO]-	288.05082	188.1
[M+Na-2H]-	250.01164	155.0
[M]+	229.03642	150.7
[M]-	229.03752	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.