CID 3018712

(methoxymethyl)cyclododecane

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

COCC1CCCCCCCCCCC1

InChI

InChI=1S/C14H28O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3

InChIKey

ZZCPUTXODKGFBH-UHFFFAOYSA-N

Compound name

methoxymethylcyclododecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.21402 Da
Monoisotopic Mass: 5.7
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]+	213.221296	152.4
[M+Na]+	235.203238	153.4
[M-H]-	211.206744	151.9
[M+NH4]+	230.247843	167.9
[M+K]+	251.177178	152.9
[M+H-H2O]+	195.211280	149.1
[M+HCOO]-	257.212221	168.5
[M+CH3COO]-	271.227871	181.9
[M+Na-2H]-	233.188686	153.4
[M]+	212.21347142	142.9
[M]-	212.21456858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe