CID 12443309

Telekin

Structural Information

Molecular Formula
C15H20O3
SMILES
C[C@]12CCCC(=C)[C@@]1(C[C@H]3[C@@H](C2)OC(=O)C3=C)O
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-12-11(7-15(9,14)17)10(2)13(16)18-12/h11-12,17H,1-2,4-8H2,3H3/t11-,12-,14-,15-/m1/s1
InChIKey
LIDPBIULZNRIJE-QHSBEEBCSA-N
Compound name
(3aR,4aR,8aR,9aR)-4a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

110
Patents

248.14125 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 155.2
[M+Na]+ 271.130468 162.9
[M-H]- 247.133974 159.2
[M+NH4]+ 266.175073 178.6
[M+K]+ 287.104408 159.0
[M+H-H2O]+ 231.138510 151.4
[M+HCOO]- 293.139451 167.9
[M+CH3COO]- 307.155101 192.0
[M+Na-2H]- 269.115916 158.2
[M]+ 248.14070142 150.1
[M]- 248.14179858 150.1
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