CID 16138

Ep-289

Structural Information

Molecular Formula
C22H34O6
SMILES
CC1CC2C(O2)CC1COC(=O)CCCCC(=O)OCC3CC4C(O4)CC3C
InChI
InChI=1S/C22H34O6/c1-13-7-17-19(27-17)9-15(13)11-25-21(23)5-3-4-6-22(24)26-12-16-10-20-18(28-20)8-14(16)2/h13-20H,3-12H2,1-2H3
InChIKey
LMMDJMWIHPEQSJ-UHFFFAOYSA-N
Compound name
bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10568
Patents

394.23553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24281 198.6
[M+Na]+ 417.22475 202.4
[M-H]- 393.22825 206.0
[M+NH4]+ 412.26935 199.3
[M+K]+ 433.19869 201.6
[M+H-H2O]+ 377.23279 191.5
[M+HCOO]- 439.23373 206.2
[M+CH3COO]- 453.24938 230.0
[M+Na-2H]- 415.21020 196.1
[M]+ 394.23498 206.6
[M]- 394.23608 206.6
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

patents stripe