CID 3020404

(2-methoxyethoxy)methylcyclooctane

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

COCCOCC1CCCCCCC1

InChI

InChI=1S/C12H24O2/c1-13-9-10-14-11-12-7-5-3-2-4-6-8-12/h12H,2-11H2,1H3

InChIKey

PAMROBCNETTXJS-UHFFFAOYSA-N

Compound name

2-methoxyethoxymethylcyclooctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.17763 Da
Monoisotopic Mass: 3.4
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]+	201.184906	150.3
[M+Na]+	223.166848	153.5
[M-H]-	199.170354	151.5
[M+NH4]+	218.211453	158.9
[M+K]+	239.140788	154.2
[M+H-H2O]+	183.174890	146.6
[M+HCOO]-	245.175831	159.0
[M+CH3COO]-	259.191481	223.1
[M+Na-2H]-	221.152296	150.3
[M]+	200.17708142	149.6
[M]-	200.17817858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe