CID 54109911

5-dehydro-6-demethoxyfumagillol

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2CC(=O)CC[C@]23CO3)C
InChI
InChI=1S/C15H22O3/c1-10(2)4-5-13-14(3,18-13)12-8-11(16)6-7-15(12)9-17-15/h4,12-13H,5-9H2,1-3H3/t12-,13-,14-,15+/m1/s1
InChIKey
NGJHYKKKKKBPBZ-TUVASFSCSA-N
Compound name
(3R,4S)-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

1
Patents

250.15689 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 166.2
[M+Na]+ 273.146108 172.9
[M-H]- 249.149614 176.1
[M+NH4]+ 268.190713 174.0
[M+K]+ 289.120048 176.1
[M+H-H2O]+ 233.154150 161.7
[M+HCOO]- 295.155091 178.8
[M+CH3COO]- 309.170741 204.8
[M+Na-2H]- 271.131556 169.0
[M]+ 250.15634142 171.3
[M]- 250.15743858 171.3
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