CID 56927725

10r-hpode

Structural Information

Molecular Formula
C18H32O4
SMILES
CCCCC/C=C\C[C@H](/C=C/CCCCCCC(=O)O)OO
InChI
InChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m1/s1
InChIKey
YONQBPOWOZLKHS-HLGVZOAESA-N
Compound name
(8E,10R,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

13
Patents

312.23007 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.237346 182.9
[M+Na]+ 335.219288 184.7
[M-H]- 311.222794 178.3
[M+NH4]+ 330.263893 196.0
[M+K]+ 351.193228 180.6
[M+H-H2O]+ 295.227330 176.4
[M+HCOO]- 357.228271 199.3
[M+CH3COO]- 371.243921 203.6
[M+Na-2H]- 333.204736 180.2
[M]+ 312.22952142 187.1
[M]- 312.23061858 187.1
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