CID 9904000

Dioctyl carbonate

Structural Information

Molecular Formula

C₁₇H₃₄O₃

SMILES

CCCCCCCCOC(=O)OCCCCCCCC

InChI

InChI=1S/C17H34O3/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

PKPOVTYZGGYDIJ-UHFFFAOYSA-N

Compound name

dioctyl carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19211
Patents: 286.2508 Da
Monoisotopic Mass: 7.4
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]+	287.25808	175.3
[M+Na]+	309.24002	183.0
[M+NH4]+	304.28462	180.7
[M+K]+	325.21396	175.7
[M-H]-	285.24352	173.5
[M+Na-2H]-	307.22547	175.7
[M]+	286.25025	175.5
[M]-	286.25135	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe