CID 162061

(methoxymethoxy)cyclododecane

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

COCOC1CCCCCCCCCCC1

InChI

InChI=1S/C14H28O2/c1-15-13-16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3

InChIKey

HPTIDIPGIUCQFC-UHFFFAOYSA-N

Compound name

methoxymethoxycyclododecane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 363
Patents: 228.20892 Da
Monoisotopic Mass: 5.1
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]+	229.216196	155.5
[M+Na]+	251.198138	156.3
[M-H]-	227.201644	154.9
[M+NH4]+	246.242743	170.2
[M+K]+	267.172078	156.4
[M+H-H2O]+	211.206180	152.0
[M+HCOO]-	273.207121	171.7
[M+CH3COO]-	287.222771	183.8
[M+Na-2H]-	249.183586	156.5
[M]+	228.20837142	147.4
[M]-	228.20946858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe