CID 69096630

Dtxsid101021036

Structural Information

Molecular Formula
C20H34O8
SMILES
CC1COC(O1)(C)CCC(=O)OCCCCOC(=O)CCC2(OCC(O2)C)C
InChI
InChI=1S/C20H34O8/c1-15-13-25-19(3,27-15)9-7-17(21)23-11-5-6-12-24-18(22)8-10-20(4)26-14-16(2)28-20/h15-16H,5-14H2,1-4H3
InChIKey
AQMKNVZQXJVVNL-UHFFFAOYSA-N
Compound name
4-[3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoyloxy]butyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

402.22537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.23265 193.8
[M+Na]+ 425.21459 196.8
[M-H]- 401.21809 201.3
[M+NH4]+ 420.25919 206.4
[M+K]+ 441.18853 200.9
[M+H-H2O]+ 385.22263 191.2
[M+HCOO]- 447.22357 207.8
[M+CH3COO]- 461.23922 219.6
[M+Na-2H]- 423.20004 194.4
[M]+ 402.22482 203.6
[M]- 402.22592 203.6
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