CID 100215

Glechomafuran

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1=COC2=C1CC3C(O3)(CCC4C(C2)(O4)C)C
InChI
InChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)12(17-15)4-5-14(2)13(18-14)6-10(9)11/h8,12-13H,4-7H2,1-3H3
InChIKey
FNQFNSGVMLMZNV-UHFFFAOYSA-N
Compound name
5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadeca-1(12),14-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

248.14125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 155.6
[M+Na]+ 271.13047 165.0
[M-H]- 247.13397 162.0
[M+NH4]+ 266.17507 164.2
[M+K]+ 287.10441 170.1
[M+H-H2O]+ 231.13851 155.7
[M+HCOO]- 293.13945 166.1
[M+CH3COO]- 307.15510 165.8
[M+Na-2H]- 269.11592 161.5
[M]+ 248.14070 162.6
[M]- 248.14180 162.6
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