CID 6444370

Conocandin

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCC/C(=C/CCCC[C@H]1[C@@H](O1)C(=C)C(=O)O)/C
InChI
InChI=1S/C18H30O3/c1-4-5-6-8-11-14(2)12-9-7-10-13-16-17(21-16)15(3)18(19)20/h12,16-17H,3-11,13H2,1-2H3,(H,19,20)/b14-12+/t16-,17-/m0/s1
InChIKey
WSCIWZRMZZZKRD-KIXISSKZSA-N
Compound name
2-[(2S,3S)-3-[(E)-6-methyldodec-5-enyl]oxiran-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

294.21948 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 171.0
[M+Na]+ 317.20870 179.9
[M+NH4]+ 312.25330 176.4
[M+K]+ 333.18264 176.5
[M-H]- 293.21220 177.5
[M+Na-2H]- 315.19415 173.4
[M]+ 294.21893 174.9
[M]- 294.22003 174.9
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