CID 70368

1,1-dimethoxycyclododecane

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

COC1(CCCCCCCCCCC1)OC

InChI

InChI=1S/C14H28O2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3

InChIKey

XXNCXSHVDVCRKB-UHFFFAOYSA-N

Compound name

1,1-dimethoxycyclododecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 893
Patents: 228.20892 Da
Monoisotopic Mass: 4.9
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]+	229.216196	156.4
[M+Na]+	251.198138	158.3
[M-H]-	227.201644	156.2
[M+NH4]+	246.242743	173.2
[M+K]+	267.172078	158.6
[M+H-H2O]+	211.206180	153.7
[M+HCOO]-	273.207121	172.7
[M+CH3COO]-	287.222771	183.3
[M+Na-2H]-	249.183586	158.4
[M]+	228.20837142	148.6
[M]-	228.20946858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe