CID 97213

Psilostachyin c

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1CCC2C(C3(C1CCC(=O)O3)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8,10-11,13H,2,4-7H2,1,3H3
InChIKey
FZYIWDQVFMUXPW-UHFFFAOYSA-N
Compound name
1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

264.13617 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 154.6
[M+Na]+ 287.12539 160.9
[M-H]- 263.12889 161.8
[M+NH4]+ 282.16999 173.5
[M+K]+ 303.09933 161.9
[M+H-H2O]+ 247.13343 151.3
[M+HCOO]- 309.13437 167.8
[M+CH3COO]- 323.15002 199.2
[M+Na-2H]- 285.11084 157.0
[M]+ 264.13562 150.3
[M]- 264.13672 150.3
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