CID 156588946

Mdpihp

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(C)CC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
InChI
InChI=1S/C17H23NO3/c1-12(2)9-14(18-7-3-4-8-18)17(19)13-5-6-15-16(10-13)21-11-20-15/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3
InChIKey
VRQRDQWKORSFMZ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 171.3
[M+Na]+ 312.157018 175.0
[M-H]- 288.160524 177.8
[M+NH4]+ 307.201623 186.7
[M+K]+ 328.130958 175.0
[M+H-H2O]+ 272.165060 164.8
[M+HCOO]- 334.166001 186.2
[M+CH3COO]- 348.181651 201.6
[M+Na-2H]- 310.142466 169.4
[M]+ 289.16725142 171.3
[M]- 289.16834858 171.3
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

No patent data available for this compound.