CID 18410

3130-19-6

Structural Information

Molecular Formula
C20H30O6
SMILES
C1CC2C(O2)CC1COC(=O)CCCCC(=O)OCC3CCC4C(C3)O4
InChI
InChI=1S/C20H30O6/c21-19(23-11-13-5-7-15-17(9-13)25-15)3-1-2-4-20(22)24-12-14-6-8-16-18(10-14)26-16/h13-18H,1-12H2
InChIKey
DJUWPHRCMMMSCV-UHFFFAOYSA-N
Compound name
bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

13450
Patents

366.20422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 160.0
[M+Na]+ 389.19344 170.1
[M+NH4]+ 384.23804 167.1
[M+K]+ 405.16738 169.6
[M-H]- 365.19694 175.5
[M+Na-2H]- 387.17889 165.9
[M]+ 366.20367 167.6
[M]- 366.20477 167.6
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