CID 5282858

12-hpode

Structural Information

Molecular Formula
C18H32O4
SMILES
CCCC/C=C/C(C/C=C\CCCCCCCC(=O)O)OO
InChI
InChI=1S/C18H32O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,11-12,14,17,21H,2-8,10,13,15-16H2,1H3,(H,19,20)/b12-9-,14-11+
InChIKey
SYVVYQKENYQBSX-MMFCQQQJSA-N
Compound name
(9Z,13E)-12-hydroperoxyoctadeca-9,13-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.23007 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 182.9
[M+Na]+ 335.21929 184.7
[M-H]- 311.22279 178.3
[M+NH4]+ 330.26389 196.0
[M+K]+ 351.19323 180.6
[M+H-H2O]+ 295.22733 176.4
[M+HCOO]- 357.22827 199.3
[M+CH3COO]- 371.24392 203.6
[M+Na-2H]- 333.20474 180.2
[M]+ 312.22952 187.1
[M]- 312.23062 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