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

4
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	147.9
[M+Na]+	209.11482	151.5
[M-H]-	185.11832	149.4
[M+NH4]+	204.15942	156.7
[M+K]+	225.08876	152.6
[M+H-H2O]+	169.12286	144.4
[M+HCOO]-	231.12380	156.7
[M+CH3COO]-	245.13945	220.8
[M+Na-2H]-	207.10027	147.8
[M]+	186.12505	146.8
[M]-	186.12615	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe