CID 5716900

(9r,13r)-1a,1b-dihomo-jasmonic acid

Structural Information

Molecular Formula
C14H22O3
SMILES
CC/C=C\C[C@@H]1[C@@H](CCC1=O)CCCC(=O)O
InChI
InChI=1S/C14H22O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h3-4,11-12H,2,5-10H2,1H3,(H,16,17)/b4-3-/t11-,12-/m1/s1
InChIKey
LVQJNKFFJNUFNY-OPVGQWETSA-N
Compound name
4-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.15689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 159.4
[M+Na]+ 261.14611 167.0
[M+NH4]+ 256.19071 165.3
[M+K]+ 277.12005 163.2
[M-H]- 237.14961 158.3
[M+Na-2H]- 259.13156 159.9
[M]+ 238.15634 159.7
[M]- 238.15744 159.7
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

No patent data available for this compound.