CID 131751254

12-oxo-2,3-dinor-10,15-phytodienoic acid

Structural Information

Molecular Formula
C16H24O3
SMILES
CC/C=C/CC1C(C=CC1=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/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3+
InChIKey
SZVNKXCDJUBPQO-HWKANZROSA-N
Compound name
6-[4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

264.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 166.8
[M+Na]+ 287.16177 174.9
[M+NH4]+ 282.20637 172.4
[M+K]+ 303.13571 170.4
[M-H]- 263.16527 165.8
[M+Na-2H]- 285.14722 167.6
[M]+ 264.17200 167.2
[M]- 264.17310 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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