CID 5316702

(+)-mokkolactone

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O
InChI
InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3
InChIKey
UJADCNYXDHHISU-UHFFFAOYSA-N
Compound name
3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

232.14633 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 155.0
[M+Na]+ 255.13555 162.4
[M+NH4]+ 250.18015 162.9
[M+K]+ 271.10949 161.3
[M-H]- 231.13905 157.1
[M+Na-2H]- 253.12100 154.2
[M]+ 232.14578 156.4
[M]- 232.14688 156.4
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