CID 5279291

Isolitseane a

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@@H]1[C@H]([C@@H](CC1=O)C(=C)CCC=C(C)C)CO
InChI
InChI=1S/C15H24O2/c1-10(2)6-5-7-11(3)13-8-15(17)12(4)14(13)9-16/h6,12-14,16H,3,5,7-9H2,1-2,4H3/t12-,13+,14-/m1/s1
InChIKey
GHVNGXHCQAFVBL-HZSPNIEDSA-N
Compound name
(2R,3S,4R)-3-(hydroxymethyl)-2-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 159.1
[M+Na]+ 259.16685 164.6
[M-H]- 235.17035 160.8
[M+NH4]+ 254.21145 178.5
[M+K]+ 275.14079 161.1
[M+H-H2O]+ 219.17489 154.3
[M+HCOO]- 281.17583 177.0
[M+CH3COO]- 295.19148 193.6
[M+Na-2H]- 257.15230 155.1
[M]+ 236.17708 157.7
[M]- 236.17818 157.7
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

No patent data available for this compound.