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]+ 333.133256 204.9
[M+Na]+ 355.115198 204.1
[M-H]- 331.118704 203.7
[M+NH4]+ 350.159803 203.9
[M+K]+ 371.089138 202.9
[M+H-H2O]+ 315.123240 195.1
[M+HCOO]- 377.124181 204.4
[M+CH3COO]- 391.139831 204.8
[M+Na-2H]- 353.100646 205.2
[M]+ 332.12543142 204.0
[M]- 332.12652858 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