CID 279540

6-butyltetralin

Structural Information

Molecular Formula

C₁₄H₂₀

SMILES

CCCCC1=CC2=C(CCCC2)C=C1

InChI

InChI=1S/C14H20/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h9-11H,2-8H2,1H3

InChIKey

OOPPKRUACFCVFK-UHFFFAOYSA-N

Compound name

6-butyl-1,2,3,4-tetrahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 188.1565 Da
Monoisotopic Mass: 5.2
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	143.5
[M+Na]+	211.145718	149.1
[M-H]-	187.149224	147.1
[M+NH4]+	206.190323	164.4
[M+K]+	227.119658	145.6
[M+H-H2O]+	171.153760	137.3
[M+HCOO]-	233.154701	163.5
[M+CH3COO]-	247.170351	185.7
[M+Na-2H]-	209.131166	149.6
[M]+	188.15595142	141.4
[M]-	188.15704858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe