CID 5279293

Isolitseane c

Structural Information

Molecular Formula
C15H24O3
SMILES
C[C@@H]1[C@H]([C@H](CC1=O)C(=C)C/C=C/C(C)(C)O)CO
InChI
InChI=1S/C15H24O3/c1-10(6-5-7-15(3,4)18)12-8-14(17)11(2)13(12)9-16/h5,7,11-13,16,18H,1,6,8-9H2,2-4H3/b7-5+/t11-,12-,13-/m1/s1
InChIKey
DEBVTYMFDLFRGC-AIIKUZRDSA-N
Compound name
(2R,3S,4S)-3-(hydroxymethyl)-4-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-2-methylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 161.9
[M+Na]+ 275.16177 167.5
[M-H]- 251.16527 162.3
[M+NH4]+ 270.20637 179.9
[M+K]+ 291.13571 163.6
[M+H-H2O]+ 235.16981 157.8
[M+HCOO]- 297.17075 177.8
[M+CH3COO]- 311.18640 192.6
[M+Na-2H]- 273.14722 159.7
[M]+ 252.17200 160.2
[M]- 252.17310 160.2
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.