CID 21572716

Tetracosylcyclohexane

Structural Information

Molecular Formula

C₃₀H₆₀

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C30H60/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-30-28-25-23-26-29-30/h30H,2-29H2,1H3

InChIKey

WMFMOFURZNHHDD-UHFFFAOYSA-N

Compound name

tetracosylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 420.4695 Da
Monoisotopic Mass: 16.0
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]+	421.476776	222.7
[M+Na]+	443.458718	218.0
[M-H]-	419.462224	220.8
[M+NH4]+	438.503323	232.6
[M+K]+	459.432658	211.4
[M+H-H2O]+	403.466760	213.0
[M+HCOO]-	465.467701	235.7
[M+CH3COO]-	479.483351	235.4
[M+Na-2H]-	441.444166	216.5
[M]+	420.46895142	225.9
[M]-	420.47004858	225.9

Literature stripe

literature stripe

Patent stripe

patents stripe