CID 182002

Cyclohexane, tetramethyl-

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CC1(CCCCC1(C)C)C

InChI

InChI=1S/C10H20/c1-9(2)7-5-6-8-10(9,3)4/h5-8H2,1-4H3

InChIKey

SEKSWDGNGZWLDU-UHFFFAOYSA-N

Compound name

1,1,2,2-tetramethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 760
Patents: 140.1565 Da
Monoisotopic Mass: 4.5
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]+	141.163776	130.7
[M+Na]+	163.145718	137.4
[M-H]-	139.149224	134.4
[M+NH4]+	158.190323	156.6
[M+K]+	179.119658	136.7
[M+H-H2O]+	123.153760	127.2
[M+HCOO]-	185.154701	150.7
[M+CH3COO]-	199.170351	176.1
[M+Na-2H]-	161.131166	137.1
[M]+	140.15595142	127.7
[M]-	140.15704858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe