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
4
Annotation Hits

0
References

20565
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

literature stripe

Patent stripe

patents stripe