CID 85781

Bis(2-ethylhexyl) carbonate

Structural Information

Molecular Formula
C17H34O3
SMILES
CCCCC(CC)COC(=O)OCC(CC)CCCC
InChI
InChI=1S/C17H34O3/c1-5-9-11-15(7-3)13-19-17(18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
PXTQQOLKZBLYDY-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) carbonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4146
Patents

286.2508 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.258076 178.7
[M+Na]+ 309.240018 181.2
[M-H]- 285.243524 177.3
[M+NH4]+ 304.284623 194.6
[M+K]+ 325.213958 180.3
[M+H-H2O]+ 269.248060 172.2
[M+HCOO]- 331.249001 196.9
[M+CH3COO]- 345.264651 206.3
[M+Na-2H]- 307.225466 176.1
[M]+ 286.25025142 185.8
[M]- 286.25134858 185.8
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