CID 519284

1-methyl-1-(1-methylethyl)cyclohexane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CC(C)C1(CCCCC1)C

InChI

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

InChIKey

XWPBAJRHMYWMKT-UHFFFAOYSA-N

Compound name

1-methyl-1-propan-2-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 812
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]+	141.163776	134.0
[M+Na]+	163.145718	138.5
[M-H]-	139.149224	136.8
[M+NH4]+	158.190323	157.4
[M+K]+	179.119658	137.9
[M+H-H2O]+	123.153760	129.4
[M+HCOO]-	185.154701	152.8
[M+CH3COO]-	199.170351	176.1
[M+Na-2H]-	161.131166	138.5
[M]+	140.15595142	129.5
[M]-	140.15704858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe