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 159.6
[M+Na]+ 317.09957 168.8
[M-H]- 293.10307 165.5
[M+NH4]+ 312.14417 181.4
[M+K]+ 333.07351 167.9
[M+H-H2O]+ 277.10761 158.0
[M+HCOO]- 339.10855 169.6
[M+CH3COO]- 353.12420 171.7
[M+Na-2H]- 315.08502 163.4
[M]+ 294.10980 161.2
[M]- 294.11090 161.2
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