CID 3001249

5-dehydrofumagillol

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H](C(=O)CC[C@]23CO3)OC)C
InChI
InChI=1S/C16H24O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,12-14H,6-9H2,1-4H3/t12-,13-,14-,15+,16+/m1/s1
InChIKey
RKYFKXLMWVUYJY-SUJAAXHWSA-N
Compound name
(3R,4S,5S)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

280.16745 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 172.5
[M+Na]+ 303.15667 179.4
[M-H]- 279.16017 182.3
[M+NH4]+ 298.20127 179.4
[M+K]+ 319.13061 182.4
[M+H-H2O]+ 263.16471 168.1
[M+HCOO]- 325.16565 184.6
[M+CH3COO]- 339.18130 210.0
[M+Na-2H]- 301.14212 174.4
[M]+ 280.16690 179.6
[M]- 280.16800 179.6
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