CID 36568

Benzene, tetraethyl-

Structural Information

Molecular Formula

C₁₄H₂₂

SMILES

CCC1=C(C(=C(C=C1)CC)CC)CC

InChI

InChI=1S/C14H22/c1-5-11-9-10-12(6-2)14(8-4)13(11)7-3/h9-10H,5-8H2,1-4H3

InChIKey

FEWANSQOXSIFOK-UHFFFAOYSA-N

Compound name

1,2,3,4-tetraethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1519
Patents: 190.17215 Da
Monoisotopic Mass: 5.1
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]+	191.17943	144.3
[M+Na]+	213.16137	152.5
[M-H]-	189.16487	148.2
[M+NH4]+	208.20597	165.1
[M+K]+	229.13531	149.6
[M+H-H2O]+	173.16941	138.8
[M+HCOO]-	235.17035	167.3
[M+CH3COO]-	249.18600	190.0
[M+Na-2H]-	211.14682	148.0
[M]+	190.17160	147.3
[M]-	190.17270	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe