CID 12308753

(s)-bilobanone

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C
InChI
InChI=1S/C15H20O2/c1-10(2)6-14-7-13(9-17-14)12-5-4-11(3)15(16)8-12/h4,7,9-10,12H,5-6,8H2,1-3H3
InChIKey
ORQIZUYAGXZVPI-UHFFFAOYSA-N
Compound name
2-methyl-5-[5-(2-methylpropyl)furan-3-yl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

98
Patents

232.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 154.0
[M+Na]+ 255.13555 161.0
[M-H]- 231.13905 161.4
[M+NH4]+ 250.18015 172.8
[M+K]+ 271.10949 159.3
[M+H-H2O]+ 215.14359 148.0
[M+HCOO]- 277.14453 174.7
[M+CH3COO]- 291.16018 193.1
[M+Na-2H]- 253.12100 154.8
[M]+ 232.14578 154.7
[M]- 232.14688 154.7
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