CID 128394

103470-60-6

Structural Information

Molecular Formula
C15H24O4
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@H](CC[C@]23CO3)O)O)C
InChI
InChI=1S/C15H24O4/c1-9(2)4-5-11-14(3,19-11)13-12(17)10(16)6-7-15(13)8-18-15/h4,10-13,16-17H,5-8H2,1-3H3/t10-,11+,12+,13+,14-,15-/m0/s1
InChIKey
XHJZPJUIAUGGML-ZYIYBEKCSA-N
Compound name
(3R,4S,5S,6S)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

268.16745 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 143.5
[M+Na]+ 291.15667 155.1
[M+NH4]+ 286.20127 153.3
[M+K]+ 307.13061 152.5
[M-H]- 267.16017 160.1
[M+Na-2H]- 289.14212 153.9
[M]+ 268.16690 152.1
[M]- 268.16800 152.1
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