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

4
Annotation Hits: 0
References: 310
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]+	125.132476	126.4
[M+Na]+	147.114418	132.7
[M-H]-	123.117924	133.2
[M+NH4]+	142.159023	143.5
[M+K]+	163.088358	131.4
[M+H-H2O]+	107.122460	120.1
[M+HCOO]-	169.123401	147.3
[M+CH3COO]-	183.139051	174.9
[M+Na-2H]-	145.099866	132.4
[M]+	124.12465142	123.3
[M]-	124.12574858	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe