CID 5282888

Methyl 11-(3,5-epidioxy-2-ethyl-cyclopentyl)-9-hydroperoxy-10-undecenoate

Structural Information

Molecular Formula
C19H32O6
SMILES
CCC1C2CC(C1/C=C/C(CCCCCCCC(=O)OC)OO)OO2
InChI
InChI=1S/C19H32O6/c1-3-15-16(18-13-17(15)24-25-18)12-11-14(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3/b12-11+
InChIKey
MJUWCOUUJKOCJT-VAWYXSNFSA-N
Compound name
methyl (E)-11-(6-ethyl-2,3-dioxabicyclo[2.2.1]heptan-5-yl)-9-hydroperoxyundec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21988 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22716 191.9
[M+Na]+ 379.20910 194.4
[M-H]- 355.21260 192.9
[M+NH4]+ 374.25370 206.4
[M+K]+ 395.18304 194.0
[M+H-H2O]+ 339.21714 187.3
[M+HCOO]- 401.21808 205.8
[M+CH3COO]- 415.23373 212.3
[M+Na-2H]- 377.19455 189.4
[M]+ 356.21933 199.0
[M]- 356.22043 199.0
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

No patent data available for this compound.