CID 520431

1,1-diethyl-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula

C₁₄H₂₀

SMILES

CCC1(CCCC2=CC=CC=C21)CC

InChI

InChI=1S/C14H20/c1-3-14(4-2)11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10H,3-4,7,9,11H2,1-2H3

InChIKey

DBFQMDNLSBZPMF-UHFFFAOYSA-N

Compound name

4,4-diethyl-2,3-dihydro-1H-naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 188.1565 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]+	189.163776	143.8
[M+Na]+	211.145718	150.4
[M-H]-	187.149224	147.8
[M+NH4]+	206.190323	166.8
[M+K]+	227.119658	147.1
[M+H-H2O]+	171.153760	138.0
[M+HCOO]-	233.154701	163.8
[M+CH3COO]-	247.170351	185.3
[M+Na-2H]-	209.131166	150.8
[M]+	188.15595142	142.0
[M]-	188.15704858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe