CID 168007576

12-hpede(1-)

Structural Information

Molecular Formula
C20H36O4
SMILES
CCCCC/C=C\CC(/C=C/CCCCCCCCC(=O)O)OO
InChI
InChI=1S/C20H36O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h10,13-14,17,19,23H,2-9,11-12,15-16,18H2,1H3,(H,21,22)/b13-10-,17-14+
InChIKey
GVCORSDPHAPZSB-ICMDQPEBSA-N
Compound name
(10E,14Z)-12-hydroperoxyicosa-10,14-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.26135 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.268626 191.7
[M+Na]+ 363.250568 192.7
[M-H]- 339.254074 186.7
[M+NH4]+ 358.295173 203.7
[M+K]+ 379.224508 188.1
[M+H-H2O]+ 323.258610 184.8
[M+HCOO]- 385.259551 207.4
[M+CH3COO]- 399.275201 209.5
[M+Na-2H]- 361.236016 188.0
[M]+ 340.26080142 196.7
[M]- 340.26189858 196.7
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.