CID 15508

Isobutylcyclohexane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CC(C)CC1CCCCC1

InChI

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

InChIKey

FFROMNOQCNVNIH-UHFFFAOYSA-N

Compound name

2-methylpropylcyclohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2640
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]+	141.163776	134.6
[M+Na]+	163.145718	138.2
[M-H]-	139.149224	137.0
[M+NH4]+	158.190323	156.0
[M+K]+	179.119658	137.4
[M+H-H2O]+	123.153760	129.2
[M+HCOO]-	185.154701	153.4
[M+CH3COO]-	199.170351	176.5
[M+Na-2H]-	161.131166	138.0
[M]+	140.15595142	129.9
[M]-	140.15704858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe