CID 284995

Ovalicine subst.

Structural Information

Molecular Formula
C16H24O5
SMILES
CC(=CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O)C
InChI
InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3
InChIKey
NESRXFGQJARQNM-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

43
References

485
Patents

296.16238 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.169656 173.5
[M+Na]+ 319.151598 180.4
[M-H]- 295.155104 182.4
[M+NH4]+ 314.196203 180.8
[M+K]+ 335.125538 184.5
[M+H-H2O]+ 279.159640 170.9
[M+HCOO]- 341.160581 183.8
[M+CH3COO]- 355.176231 209.7
[M+Na-2H]- 317.137046 176.4
[M]+ 296.16183142 181.3
[M]- 296.16292858 181.3
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