CID 75027

Allylcyclohexane

Structural Information

Molecular Formula

C₉H₁₆

SMILES

C=CCC1CCCCC1

InChI

InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2

InChIKey

KVOZXXSUSRZIKD-UHFFFAOYSA-N

Compound name

prop-2-enylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11777
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	128.2
[M+Na]+	147.114418	132.7
[M-H]-	123.117924	130.7
[M+NH4]+	142.159023	150.2
[M+K]+	163.088358	131.1
[M+H-H2O]+	107.122460	122.9
[M+HCOO]-	169.123401	148.6
[M+CH3COO]-	183.139051	171.7
[M+Na-2H]-	145.099866	133.5
[M]+	124.12465142	123.0
[M]-	124.12574858	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe