CID 15505

Propylcyclohexane

Structural Information

Molecular Formula

C₉H₁₈

SMILES

CCCC1CCCCC1

InChI

InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChIKey

DEDZSLCZHWTGOR-UHFFFAOYSA-N

Compound name

propylcyclohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 10226
Patents: 126.140854 Da
Monoisotopic Mass: 4.6
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]+	127.14813	129.6
[M+Na]+	149.13007	133.9
[M-H]-	125.13358	132.2
[M+NH4]+	144.17468	151.7
[M+K]+	165.10401	132.9
[M+H-H2O]+	109.13811	124.3
[M+HCOO]-	171.13906	149.8
[M+CH3COO]-	185.15470	172.6
[M+Na-2H]-	147.11552	134.9
[M]+	126.14031	125.2
[M]-	126.14140	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe