CID 67526

Cyclohexadecane

Structural Information

Molecular Formula

C₁₆H₃₂

SMILES

C1CCCCCCCCCCCCCCC1

InChI

InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2

InChIKey

JJWIOXUMXIOXQN-UHFFFAOYSA-N

Compound name

cyclohexadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1806
Patents: 224.2504 Da
Monoisotopic Mass: 8.9
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]+	225.25768	157.5
[M+Na]+	247.23962	155.6
[M-H]-	223.24312	157.1
[M+NH4]+	242.28422	171.5
[M+K]+	263.21356	154.6
[M+H-H2O]+	207.24766	153.9
[M+HCOO]-	269.24860	170.8
[M+CH3COO]-	283.26425	180.9
[M+Na-2H]-	245.22507	157.4
[M]+	224.24985	142.0
[M]-	224.25095	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe