CID 544787

Cyclopentane, 3-hexyl-1,1-dimethyl-

Structural Information

Molecular Formula

C₁₃H₂₆

SMILES

CCCCCCC1CCC(C1)(C)C

InChI

InChI=1S/C13H26/c1-4-5-6-7-8-12-9-10-13(2,3)11-12/h12H,4-11H2,1-3H3

InChIKey

SACQRZQXAFXBGK-UHFFFAOYSA-N

Compound name

3-hexyl-1,1-dimethylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 182.20345 Da
Monoisotopic Mass: 6.3
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]+	183.210726	146.9
[M+Na]+	205.192668	152.3
[M-H]-	181.196174	149.6
[M+NH4]+	200.237273	170.9
[M+K]+	221.166608	150.2
[M+H-H2O]+	165.200710	142.2
[M+HCOO]-	227.201651	167.9
[M+CH3COO]-	241.217301	185.2
[M+Na-2H]-	203.178116	149.2
[M]+	182.20290142	146.6
[M]-	182.20399858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe