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

25
Patents

402.22537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.232646 193.8
[M+Na]+ 425.214588 196.8
[M-H]- 401.218094 201.3
[M+NH4]+ 420.259193 206.4
[M+K]+ 441.188528 200.9
[M+H-H2O]+ 385.222630 191.2
[M+HCOO]- 447.223571 207.8
[M+CH3COO]- 461.239221 219.6
[M+Na-2H]- 423.200036 194.4
[M]+ 402.22482142 203.6
[M]- 402.22591858 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