CID 85295949

Cyclocalopin f

Structural Information

Molecular Formula
C15H18O6
SMILES
CC1COC(=O)C2C1C34CC(C(=C)C(=O)C3O)OC4(O2)C
InChI
InChI=1S/C15H18O6/c1-6-5-19-13(18)11-9(6)15-4-8(20-14(15,3)21-11)7(2)10(16)12(15)17/h6,8-9,11-12,17H,2,4-5H2,1,3H3
InChIKey
UGWYLYUJRHPKJY-UHFFFAOYSA-N
Compound name
14-hydroxy-3,9-dimethyl-12-methylidene-5,8,10-trioxatetracyclo[9.3.1.01,9.02,7]pentadecane-6,13-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

294.11035 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11763 162.4
[M+Na]+ 317.09957 170.5
[M+NH4]+ 312.14417 172.3
[M+K]+ 333.07351 167.6
[M-H]- 293.10307 165.2
[M+Na-2H]- 315.08502 160.2
[M]+ 294.10980 164.3
[M]- 294.11090 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe