CID 4545207

10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone

Structural Information

Molecular Formula
C18H20O6
SMILES
CCCC1CC2=C(CC(CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O
InChI
InChI=1S/C18H20O6/c1-3-5-10-8-12-11(15(19)23-16(12)20)6-9(4-2)7-13-14(10)18(22)24-17(13)21/h9-10H,3-8H2,1-2H3
InChIKey
NRDWUPPIGBHWAS-UHFFFAOYSA-N
Compound name
10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12598 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13326 204.9
[M+Na]+ 355.11520 204.1
[M-H]- 331.11870 203.7
[M+NH4]+ 350.15980 203.9
[M+K]+ 371.08914 202.9
[M+H-H2O]+ 315.12324 195.1
[M+HCOO]- 377.12418 204.4
[M+CH3COO]- 391.13983 204.8
[M+Na-2H]- 353.10065 205.2
[M]+ 332.12543 204.0
[M]- 332.12653 204.0
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