CID 9268

Cyclododecane

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

C1CCCCCCCCCCC1

InChI

InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2

InChIKey

DDTBPAQBQHZRDW-UHFFFAOYSA-N

Compound name

cyclododecane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 45250
Patents: 168.1878 Da
Monoisotopic Mass: 6.7
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]+	169.19508	140.6
[M+Na]+	191.17702	141.4
[M-H]-	167.18052	140.1
[M+NH4]+	186.22162	157.5
[M+K]+	207.15096	141.1
[M+H-H2O]+	151.18506	137.6
[M+HCOO]-	213.18600	157.1
[M+CH3COO]-	227.20165	173.0
[M+Na-2H]-	189.16247	143.4
[M]+	168.18725	128.6
[M]-	168.18835	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe