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]+ 233.153606 152.9
[M+Na]+ 255.135548 159.1
[M-H]- 231.139054 159.8
[M+NH4]+ 250.180153 174.2
[M+K]+ 271.109488 157.7
[M+H-H2O]+ 215.143590 150.3
[M+HCOO]- 277.144531 168.7
[M+CH3COO]- 291.160181 164.8
[M+Na-2H]- 253.120996 151.5
[M]+ 232.14578142 147.0
[M]- 232.14687858 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

literature stripe

Patent stripe

patents stripe