CID 95625

4650-79-7

Structural Information

Molecular Formula
C20H34O6
SMILES
C1CC(OC1)COC(=O)CCCCCCCCC(=O)OCC2CCCO2
InChI
InChI=1S/C20H34O6/c21-19(25-15-17-9-7-13-23-17)11-5-3-1-2-4-6-12-20(22)26-16-18-10-8-14-24-18/h17-18H,1-16H2
InChIKey
RHWOXBBBVFKHAN-UHFFFAOYSA-N
Compound name
bis(oxolan-2-ylmethyl) decanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

370.23553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.242806 195.5
[M+Na]+ 393.224748 194.8
[M-H]- 369.228254 200.5
[M+NH4]+ 388.269353 207.5
[M+K]+ 409.198688 195.6
[M+H-H2O]+ 353.232790 188.8
[M+HCOO]- 415.233731 211.2
[M+CH3COO]- 429.249381 212.6
[M+Na-2H]- 391.210196 191.4
[M]+ 370.23498142 199.4
[M]- 370.23607858 199.4
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