CID 132520294

3,4-methylenedioxy pv8

Structural Information

Molecular Formula
C18H25NO3
SMILES
CCCCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
InChI
InChI=1S/C18H25NO3/c1-2-3-4-7-15(19-10-5-6-11-19)18(20)14-8-9-16-17(12-14)22-13-21-16/h8-9,12,15H,2-7,10-11,13H2,1H3
InChIKey
APQUWEZHVKBPTI-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 175.5
[M+Na]+ 326.17266 179.0
[M-H]- 302.17616 181.6
[M+NH4]+ 321.21726 190.3
[M+K]+ 342.14660 178.3
[M+H-H2O]+ 286.18070 168.6
[M+HCOO]- 348.18164 191.1
[M+CH3COO]- 362.19729 203.6
[M+Na-2H]- 324.15811 174.2
[M]+ 303.18289 176.4
[M]- 303.18399 176.4
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.