CID 550315

1,2-dimethylpropyl-cyclohexane

Structural Information

Molecular Formula

C₁₁H₂₂

SMILES

CC(C)C(C)C1CCCCC1

InChI

InChI=1S/C11H22/c1-9(2)10(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3

InChIKey

FGMIBQACCWIIBU-UHFFFAOYSA-N

Compound name

3-methylbutan-2-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 154.17215 Da
Monoisotopic Mass: 5.1
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]+	155.17943	139.3
[M+Na]+	177.16137	142.2
[M-H]-	153.16487	141.6
[M+NH4]+	172.20597	160.1
[M+K]+	193.13531	141.6
[M+H-H2O]+	137.16941	133.8
[M+HCOO]-	199.17035	156.8
[M+CH3COO]-	213.18600	180.4
[M+Na-2H]-	175.14682	141.0
[M]+	154.17160	134.3
[M]-	154.17270	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe