CID 23468

Sec-butylcyclohexane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CCC(C)C1CCCCC1

InChI

InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3

InChIKey

QTYARKOMFKRPSY-UHFFFAOYSA-N

Compound name

butan-2-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1192
Patents: 140.1565 Da
Monoisotopic Mass: 4.8
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	134.4
[M+Na]+	163.14572	145.2
[M+NH4]+	158.19032	144.3
[M+K]+	179.11966	138.2
[M-H]-	139.14922	137.2
[M+Na-2H]-	161.13117	139.9
[M]+	140.15595	136.7
[M]-	140.15705	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe