CID 41236

Cyclohexane, 1-(cyclohexylmethyl)-2-ethyl-, cis-

Structural Information

Molecular Formula

C₁₅H₂₈

SMILES

CCC1CCCCC1CC2CCCCC2

InChI

InChI=1S/C15H28/c1-2-14-10-6-7-11-15(14)12-13-8-4-3-5-9-13/h13-15H,2-12H2,1H3

InChIKey

URVNKHZFTHAXFF-UHFFFAOYSA-N

Compound name

1-(cyclohexylmethyl)-2-ethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 208.2191 Da
Monoisotopic Mass: 7.0
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]+	209.22638	154.2
[M+Na]+	231.20832	155.0
[M-H]-	207.21182	158.5
[M+NH4]+	226.25292	172.5
[M+K]+	247.18226	152.2
[M+H-H2O]+	191.21636	147.0
[M+HCOO]-	253.21730	169.5
[M+CH3COO]-	267.23295	188.4
[M+Na-2H]-	229.19377	154.8
[M]+	208.21855	145.3
[M]-	208.21965	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe