CID 132274650

Dinor-iso-12-oxo-phytodienoic acid

Structural Information

Molecular Formula
C16H24O3
SMILES
CC/C=C\CC1=C(CCC1=O)CCCCCC(=O)O
InChI
InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5H,2,4,6-12H2,1H3,(H,18,19)/b5-3-
InChIKey
PYOZWWIHFJKWLJ-HYXAFXHYSA-N
Compound name
6-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 166.0
[M+Na]+ 287.161768 171.3
[M-H]- 263.165274 167.3
[M+NH4]+ 282.206373 183.9
[M+K]+ 303.135708 167.3
[M+H-H2O]+ 247.169810 160.1
[M+HCOO]- 309.170751 186.2
[M+CH3COO]- 323.186401 196.2
[M+Na-2H]- 285.147216 164.2
[M]+ 264.17200142 168.1
[M]- 264.17309858 168.1
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

No patent data available for this compound.