CID 20111961

Methylenedioxypyrovalerone

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
InChI
InChI=1S/C16H21NO3/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKey
SYHGEUNFJIGTRX-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

279
References

9361
Patents

275.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 164.3
[M+Na]+ 298.14135 173.8
[M+NH4]+ 293.18595 171.8
[M+K]+ 314.11529 172.7
[M-H]- 274.14485 168.7
[M+Na-2H]- 296.12680 166.6
[M]+ 275.15158 166.7
[M]- 275.15268 166.7
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

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