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

6410
Patents

254.1882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 164.0
[M+Na]+ 277.17742 168.8
[M-H]- 253.18092 166.4
[M+NH4]+ 272.22202 183.0
[M+K]+ 293.15136 166.8
[M+H-H2O]+ 237.18546 158.1
[M+HCOO]- 299.18640 184.3
[M+CH3COO]- 313.20205 197.0
[M+Na-2H]- 275.16287 162.3
[M]+ 254.18765 166.9
[M]- 254.18875 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

literature stripe

Patent stripe

patents stripe