CID 20056433

Prohydrojasmon

Structural Information

Molecular Formula
C15H26O3
SMILES
CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)OCCC
InChI
InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKey
IPDFPNNPBMREIF-CHWSQXEVSA-N
Compound name
propyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6105
Patents

254.1882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 164.0
[M+Na]+ 277.177418 168.8
[M-H]- 253.180924 166.4
[M+NH4]+ 272.222023 183.0
[M+K]+ 293.151358 166.8
[M+H-H2O]+ 237.185460 158.1
[M+HCOO]- 299.186401 184.3
[M+CH3COO]- 313.202051 197.0
[M+Na-2H]- 275.162866 162.3
[M]+ 254.18765142 166.9
[M]- 254.18874858 166.9
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.