CID 132520293

3,4-methylenedioxy pv9 (hydrochloride)

Structural Information

Molecular Formula
C19H27NO3
SMILES
CCCCCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
InChI
InChI=1S/C19H27NO3/c1-2-3-4-5-8-16(20-11-6-7-12-20)19(21)15-9-10-17-18(13-15)23-14-22-17/h9-10,13,16H,2-8,11-12,14H2,1H3
InChIKey
SUZXRHPREJMNOG-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yloctan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 180.2
[M+Na]+ 340.188318 183.2
[M-H]- 316.191824 186.1
[M+NH4]+ 335.232923 194.4
[M+K]+ 356.162258 182.3
[M+H-H2O]+ 300.196360 173.1
[M+HCOO]- 362.197301 195.4
[M+CH3COO]- 376.212951 206.6
[M+Na-2H]- 338.173766 178.3
[M]+ 317.19855142 181.4
[M]- 317.19964858 181.4
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.