CID 222778

Fumagillol

Structural Information

Molecular Formula
C16H26O4
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)O)OC)C
InChI
InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1
InChIKey
CEVCTNCUIVEQOY-JQOWZUPLSA-N
Compound name
(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

104
Patents

282.1831 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 171.1
[M+Na]+ 305.17232 177.5
[M-H]- 281.17582 179.9
[M+NH4]+ 300.21692 177.5
[M+K]+ 321.14626 180.3
[M+H-H2O]+ 265.18036 167.1
[M+HCOO]- 327.18130 182.0
[M+CH3COO]- 341.19695 208.6
[M+Na-2H]- 303.15777 173.0
[M]+ 282.18255 177.5
[M]- 282.18365 177.5
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