CID 67524

Cyclotetradecane

Structural Information

Molecular Formula

C₁₄H₂₈

SMILES

C1CCCCCCCCCCCCC1

InChI

InChI=1S/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2

InChIKey

KATXJJSCAPBIOB-UHFFFAOYSA-N

Compound name

cyclotetradecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3071
Patents: 196.2191 Da
Monoisotopic Mass: 7.8
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]+	197.22638	149.2
[M+Na]+	219.20832	148.6
[M-H]-	195.21182	148.7
[M+NH4]+	214.25292	164.6
[M+K]+	235.18226	148.0
[M+H-H2O]+	179.21636	145.9
[M+HCOO]-	241.21730	164.1
[M+CH3COO]-	255.23295	176.9
[M+Na-2H]-	217.19377	150.5
[M]+	196.21855	135.4
[M]-	196.21965	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe