CID 141725

Cyclohexane, cyclopropyl-

Structural Information

Molecular Formula

C₉H₁₆

SMILES

C1CCC(CC1)C2CC2

InChI

InChI=1S/C9H16/c1-2-4-8(5-3-1)9-6-7-9/h8-9H,1-7H2

InChIKey

WVCCJPYDXBIIIJ-UHFFFAOYSA-N

Compound name

cyclopropylcyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 153
Patents: 124.1252 Da
Monoisotopic Mass: 4.1
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]+	125.13248	128.6
[M+Na]+	147.11442	141.4
[M+NH4]+	142.15902	139.5
[M+K]+	163.08836	135.6
[M-H]-	123.11792	139.6
[M+Na-2H]-	145.09987	138.3
[M]+	124.12465	134.6
[M]-	124.12575	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe