CID 5281929

Methyl jasmonate

Structural Information

Molecular Formula
C13H20O3
SMILES
CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)OC
InChI
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1
InChIKey
GEWDNTWNSAZUDX-WQMVXFAESA-N
Compound name
methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2045
References

18035
Patents

224.14125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 153.4
[M+Na]+ 247.13047 159.5
[M-H]- 223.13397 156.3
[M+NH4]+ 242.17507 173.7
[M+K]+ 263.10441 157.4
[M+H-H2O]+ 207.13851 148.0
[M+HCOO]- 269.13945 174.7
[M+CH3COO]- 283.15510 189.5
[M+Na-2H]- 245.11592 152.8
[M]+ 224.14070 154.8
[M]- 224.14180 154.8
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.