CID 18508

Tert-butylcyclohexane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CC(C)(C)C1CCCCC1

InChI

InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

InChIKey

XTVMZZBLCLWBPM-UHFFFAOYSA-N

Compound name

tert-butylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 8399
Patents: 140.1565 Da
Monoisotopic Mass: 4.7
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]+	141.16378	133.8
[M+Na]+	163.14572	138.2
[M-H]-	139.14922	136.6
[M+NH4]+	158.19032	155.6
[M+K]+	179.11966	137.4
[M+H-H2O]+	123.15376	129.0
[M+HCOO]-	185.15470	152.2
[M+CH3COO]-	199.17035	175.3
[M+Na-2H]-	161.13117	139.2
[M]+	140.15595	129.3
[M]-	140.15705	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe