CID 9904000

Dicaprylyl 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
5
Annotation Hits

0
References

17307
Patents

286.2508 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25808 177.7
[M+Na]+ 309.24002 180.6
[M-H]- 285.24352 176.1
[M+NH4]+ 304.28462 193.8
[M+K]+ 325.21396 178.8
[M+H-H2O]+ 269.24806 171.0
[M+HCOO]- 331.24900 197.9
[M+CH3COO]- 345.26465 204.7
[M+Na-2H]- 307.22547 177.7
[M]+ 286.25025 186.1
[M]- 286.25135 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.