CID 167495

Mokko lactone

Structural Information

Molecular Formula
C15H20O2
SMILES
C[C@H]1[C@@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=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/t10-,11-,12-,13-,14-/m0/s1
InChIKey
UJADCNYXDHHISU-PEDHHIEDSA-N
Compound name
(3S,3aS,6aR,9aR,9bS)-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

10
References

53
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 152.9
[M+Na]+ 255.13555 159.1
[M-H]- 231.13905 159.8
[M+NH4]+ 250.18015 174.2
[M+K]+ 271.10949 157.7
[M+H-H2O]+ 215.14359 150.3
[M+HCOO]- 277.14453 168.7
[M+CH3COO]- 291.16018 164.8
[M+Na-2H]- 253.12100 151.5
[M]+ 232.14578 147.0
[M]- 232.14688 147.0
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.