CID 4338653

10,11-diethyl-3a,4,9,9a-tetrahydro-4,9-ethanonaphtho[2,3-c]furan-1,3-dione

Structural Information

Molecular Formula
C18H20O3
SMILES
CCC1C(C2C3C(C1C4=CC=CC=C24)C(=O)OC3=O)CC
InChI
InChI=1S/C18H20O3/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13(9)15-16(14)18(20)21-17(15)19/h5-10,13-16H,3-4H2,1-2H3
InChIKey
RJMSBHKPHAFXQK-UHFFFAOYSA-N
Compound name
14,15-diethyl-11-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 162.4
[M+Na]+ 307.13046 168.9
[M-H]- 283.13396 165.5
[M+NH4]+ 302.17506 184.0
[M+K]+ 323.10440 165.4
[M+H-H2O]+ 267.13850 156.4
[M+HCOO]- 329.13944 173.3
[M+CH3COO]- 343.15509 173.2
[M+Na-2H]- 305.11591 166.7
[M]+ 284.14069 166.3
[M]- 284.14179 166.3
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

No patent data available for this compound.