CID 16138

1985-84-8

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

10325
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 164.1
[M+Na]+ 417.22475 174.5
[M+NH4]+ 412.26935 171.1
[M+K]+ 433.19869 174.1
[M-H]- 393.22825 179.8
[M+Na-2H]- 415.21020 169.6
[M]+ 394.23498 171.9
[M]- 394.23608 171.9
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