CID 6446781

(r-(e,e))-6,10-dimethyl-12-(3,3-dimethyloxiranyl)-5,9-dodecadien-2-one

Structural Information

Molecular Formula
C18H30O2
SMILES
C/C(=C\CCC(=O)C)/CC/C=C(\C)/CC[C@@H]1C(O1)(C)C
InChI
InChI=1S/C18H30O2/c1-14(10-7-11-16(3)19)8-6-9-15(2)12-13-17-18(4,5)20-17/h9-10,17H,6-8,11-13H2,1-5H3/b14-10+,15-9+/t17-/m1/s1
InChIKey
VZUCBUQOWZRZJJ-VRJBOTSMSA-N
Compound name
(5E,9E)-12-[(2R)-3,3-dimethyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 169.4
[M+Na]+ 301.213798 175.7
[M-H]- 277.217304 173.8
[M+NH4]+ 296.258403 181.9
[M+K]+ 317.187738 173.6
[M+H-H2O]+ 261.221840 163.9
[M+HCOO]- 323.222781 186.6
[M+CH3COO]- 337.238431 207.1
[M+Na-2H]- 299.199246 169.2
[M]+ 278.22403142 176.5
[M]- 278.22512858 176.5
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.