CID 19850402

96624-41-8

Structural Information

Molecular Formula

C₁₇H₃₂

SMILES

CCCC1CCC(CC1)C2CCC(CC2)CC

InChI

InChI=1S/C17H32/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h14-17H,3-13H2,1-2H3

InChIKey

KORMYSCDCHFFMN-UHFFFAOYSA-N

Compound name

1-ethyl-4-(4-propylcyclohexyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 274
Patents: 236.2504 Da
Monoisotopic Mass: 7.8
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]+	237.25768	162.8
[M+Na]+	259.23962	163.7
[M-H]-	235.24312	167.0
[M+NH4]+	254.28422	180.3
[M+K]+	275.21356	160.4
[M+H-H2O]+	219.24766	155.4
[M+HCOO]-	281.24860	177.4
[M+CH3COO]-	295.26425	195.6
[M+Na-2H]-	257.22507	161.6
[M]+	236.24985	154.9
[M]-	236.25095	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe