CID 14631

Damsin

Structural Information

Molecular Formula
C15H20O3
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1
InChIKey
HPJYKMSFRBJOSW-JHSUYXJUSA-N
Compound name
(3aS,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1563
Patents

248.14125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 154.7
[M+Na]+ 271.130468 161.8
[M-H]- 247.133974 161.8
[M+NH4]+ 266.175073 177.2
[M+K]+ 287.104408 160.4
[M+H-H2O]+ 231.138510 152.2
[M+HCOO]- 293.139451 170.6
[M+CH3COO]- 307.155101 196.7
[M+Na-2H]- 269.115916 154.7
[M]+ 248.14070142 150.4
[M]- 248.14179858 150.4
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