CID 6432485

Refchem:879153

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

C[C@@H]1C[C@H](CC(C1)(C)C)C

InChI

InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1

InChIKey

WOJSMJIXPQLESQ-RKDXNWHRSA-N

Compound name

trans-(3R,5R)-1,1,3,5-tetramethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1653
Patents: 140.1565 Da
Monoisotopic Mass: 4.4
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]+	141.163776	131.1
[M+Na]+	163.145718	137.8
[M-H]-	139.149224	134.7
[M+NH4]+	158.190323	155.4
[M+K]+	179.119658	136.9
[M+H-H2O]+	123.153760	127.1
[M+HCOO]-	185.154701	151.1
[M+CH3COO]-	199.170351	177.4
[M+Na-2H]-	161.131166	135.8
[M]+	140.15595142	128.1
[M]-	140.15704858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe