CID 23724771

(2e,6e,10r)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate

Structural Information

Molecular Formula
C15H24O3
SMILES
C/C(=C\CC/C(=C/C(=O)O)/C)/CC[C@@H]1C(O1)(C)C
InChI
InChI=1S/C15H24O3/c1-11(8-9-13-15(3,4)18-13)6-5-7-12(2)10-14(16)17/h6,10,13H,5,7-9H2,1-4H3,(H,16,17)/b11-6+,12-10+/t13-/m1/s1
InChIKey
DIAZNFMKLJLDNM-AQAKBEBOSA-N
Compound name
(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

252.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 161.2
[M+Na]+ 275.16177 170.9
[M+NH4]+ 270.20637 168.5
[M+K]+ 291.13571 166.5
[M-H]- 251.16527 168.0
[M+Na-2H]- 273.14722 165.8
[M]+ 252.17200 165.5
[M]- 252.17310 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe