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
4
Annotation Hits

0
References

18797
Patents

346.23553 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.242806 189.7
[M+Na]+ 369.224748 191.8
[M-H]- 345.228254 188.2
[M+NH4]+ 364.269353 203.2
[M+K]+ 385.198688 192.4
[M+H-H2O]+ 329.232790 182.7
[M+HCOO]- 391.233731 204.7
[M+CH3COO]- 405.249381 213.1
[M+Na-2H]- 367.210196 185.8
[M]+ 346.23498142 200.0
[M]- 346.23607858 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

literature stripe

Patent stripe

patents stripe