CID 543865

Dtxsid00880824

Structural Information

Molecular Formula

C₁₄H₂₈

SMILES

CCC1CC(C(CC1CC)CC)CC

InChI

InChI=1S/C14H28/c1-5-11-9-13(7-3)14(8-4)10-12(11)6-2/h11-14H,5-10H2,1-4H3

InChIKey

BOYDUSQXWHQREG-UHFFFAOYSA-N

Compound name

1,2,4,5-tetraethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 196.2191 Da
Monoisotopic Mass: 6.4
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]+	197.226376	150.2
[M+Na]+	219.208318	155.3
[M-H]-	195.211824	153.0
[M+NH4]+	214.252923	170.5
[M+K]+	235.182258	153.0
[M+H-H2O]+	179.216360	144.8
[M+HCOO]-	241.217301	168.8
[M+CH3COO]-	255.232951	191.1
[M+Na-2H]-	217.193766	150.9
[M]+	196.21855142	148.8
[M]-	196.21964858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe