CID 257278

Coronopilin

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1
InChIKey
GEUJJEYGSRWXPC-JISBIHODSA-N
Compound name
(3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

17
Patents

264.13617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 157.1
[M+Na]+ 287.125388 164.6
[M-H]- 263.128894 163.1
[M+NH4]+ 282.169993 180.1
[M+K]+ 303.099328 162.7
[M+H-H2O]+ 247.133430 155.0
[M+HCOO]- 309.134371 171.6
[M+CH3COO]- 323.150021 196.2
[M+Na-2H]- 285.110836 158.2
[M]+ 264.13562142 152.8
[M]- 264.13671858 152.8
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