CID 5320768

Psilostachyin b

Structural Information

Molecular Formula
C15H18O4
SMILES
CC1=C2CCC(=O)O[C@]2([C@H]3[C@@H](CC1)C(=C)C(=O)O3)C
InChI
InChI=1S/C15H18O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h10,13H,2,4-7H2,1,3H3/t10-,13+,15+/m0/s1
InChIKey
IOGFBFUSBVLQMS-PSOPSSQASA-N
Compound name
(1R,2R,6S)-1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.02,6]tetradec-9-ene-4,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

262.1205 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 153.4
[M+Na]+ 285.109718 160.7
[M-H]- 261.113224 161.1
[M+NH4]+ 280.154323 172.5
[M+K]+ 301.083658 161.8
[M+H-H2O]+ 245.117760 150.2
[M+HCOO]- 307.118701 168.1
[M+CH3COO]- 321.134351 198.8
[M+Na-2H]- 283.095166 156.7
[M]+ 262.11995142 150.5
[M]- 262.12104858 150.5
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