CID 177140

Burrodin

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H](CC3=O)O)C)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O4/c1-7-4-11-9(8(2)14(18)19-11)6-15(3)12(17)5-10(16)13(7)15/h7,9-11,13,16H,2,4-6H2,1,3H3/t7-,9+,10-,11+,13+,15+/m0/s1
InChIKey
HSNYUOAAQCCKRP-UGKIOTTESA-N
Compound name
(3aR,5S,5aS,6S,8aS,9aR)-6-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

264.13617 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 157.6
[M+Na]+ 287.12539 164.9
[M-H]- 263.12889 163.7
[M+NH4]+ 282.16999 179.0
[M+K]+ 303.09933 163.7
[M+H-H2O]+ 247.13343 155.6
[M+HCOO]- 309.13437 172.2
[M+CH3COO]- 323.15002 197.7
[M+Na-2H]- 285.11084 157.0
[M]+ 264.13562 153.4
[M]- 264.13672 153.4
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