CID 85963

16111-62-9

Structural Information

Molecular Formula
C18H34O6
SMILES
CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC
InChI
InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
ZACVGCNKGYYQHA-UHFFFAOYSA-N
Compound name
2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18681
Patents

346.23553 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24281 189.7
[M+Na]+ 369.22475 191.8
[M-H]- 345.22825 188.2
[M+NH4]+ 364.26935 203.2
[M+K]+ 385.19869 192.4
[M+H-H2O]+ 329.23279 182.7
[M+HCOO]- 391.23373 204.7
[M+CH3COO]- 405.24938 213.1
[M+Na-2H]- 367.21020 185.8
[M]+ 346.23498 200.0
[M]- 346.23608 200.0
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.