CID 5282887

Methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8e-octadecenoate

Structural Information

Molecular Formula
C19H32O8
SMILES
CCC(C1CC(OO1)C2CC(OO2)/C=C/CCCCCCC(=O)OC)OO
InChI
InChI=1S/C19H32O8/c1-3-15(23-21)17-13-18(27-26-17)16-12-14(24-25-16)10-8-6-4-5-7-9-11-19(20)22-2/h8,10,14-18,21H,3-7,9,11-13H2,1-2H3/b10-8+
InChIKey
HDHNZAODPDSIEW-CSKARUKUSA-N
Compound name
methyl (E)-9-[5-[5-(1-hydroperoxypropyl)dioxolan-3-yl]dioxolan-3-yl]non-8-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.20972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.216996 197.3
[M+Na]+ 411.198938 198.2
[M-H]- 387.202444 203.0
[M+NH4]+ 406.243543 205.6
[M+K]+ 427.172878 200.9
[M+H-H2O]+ 371.206980 192.3
[M+HCOO]- 433.207921 210.0
[M+CH3COO]- 447.223571 215.4
[M+Na-2H]- 409.184386 194.1
[M]+ 388.20917142 203.9
[M]- 388.21026858 203.9
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.