CID 6439596

Furanogermenone

Structural Information

Molecular Formula
C15H20O2
SMILES
C[C@H]1CC/C=C(\CC2=C(CC1=O)C(=CO2)C)/C
InChI
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)14(16)8-13-12(3)9-17-15(13)7-10/h5,9,11H,4,6-8H2,1-3H3/b10-5-/t11-/m0/s1
InChIKey
ZLESWHXADLWJPV-VQNWOSHQSA-N
Compound name
(6S,9Z)-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

51
Patents

232.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 148.8
[M+Na]+ 255.13555 157.4
[M-H]- 231.13905 151.9
[M+NH4]+ 250.18015 166.6
[M+K]+ 271.10949 156.3
[M+H-H2O]+ 215.14359 147.2
[M+HCOO]- 277.14453 168.6
[M+CH3COO]- 291.16018 189.2
[M+Na-2H]- 253.12100 150.8
[M]+ 232.14578 147.4
[M]- 232.14688 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe