CID 316768

93433-97-7

Structural Information

Molecular Formula
C16H16O2
SMILES
C1CC2CC1C3=C2C(=O)C4=C(C3=O)C5CCC4C5
InChI
InChI=1S/C16H16O2/c17-15-11-7-1-2-8(5-7)12(11)16(18)14-10-4-3-9(6-10)13(14)15/h7-10H,1-6H2
InChIKey
WDWXKSFSXJJWIR-UHFFFAOYSA-N
Compound name
pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),4(9)-diene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 158.0
[M+Na]+ 263.10426 167.2
[M-H]- 239.10776 163.3
[M+NH4]+ 258.14886 187.6
[M+K]+ 279.07820 161.8
[M+H-H2O]+ 223.11230 156.5
[M+HCOO]- 285.11324 175.1
[M+CH3COO]- 299.12889 170.8
[M+Na-2H]- 261.08971 156.1
[M]+ 240.11449 158.5
[M]- 240.11559 158.5
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