CID 109116

Cyclooctyl methyl carbonate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

COC(=O)OC1CCCCCCC1

InChI

InChI=1S/C10H18O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3

InChIKey

MCNKZOMTVSVVSJ-UHFFFAOYSA-N

Compound name

cyclooctyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 291
Patents: 186.1256 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]+	187.13288	142.2
[M+Na]+	209.11482	145.2
[M+NH4]+	204.15942	144.9
[M+K]+	225.08876	145.1
[M-H]-	185.11832	142.6
[M+Na-2H]-	207.10027	145.1
[M]+	186.12505	142.6
[M]-	186.12615	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe