CID 75368817

Peruvinine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 157.6
[M+Na]+ 287.125388 164.9
[M-H]- 263.128894 163.7
[M+NH4]+ 282.169993 179.0
[M+K]+ 303.099328 163.7
[M+H-H2O]+ 247.133430 155.6
[M+HCOO]- 309.134371 172.2
[M+CH3COO]- 323.150021 197.7
[M+Na-2H]- 285.110836 157.0
[M]+ 264.13562142 153.4
[M]- 264.13671858 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

No patent data available for this compound.