CID 113868

3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl propanoate

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCC(=O)OC1(CCN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H21NO3/c1-4-14(17)19-15(8-9-16(2)11-15)12-6-5-7-13(10-12)18-3/h5-7,10H,4,8-9,11H2,1-3H3
InChIKey
UTMPJCHLKKSULO-UHFFFAOYSA-N
Compound name
[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 160.9
[M+Na]+ 286.141348 167.7
[M-H]- 262.144854 166.2
[M+NH4]+ 281.185953 180.0
[M+K]+ 302.115288 165.9
[M+H-H2O]+ 246.149390 153.9
[M+HCOO]- 308.150331 181.5
[M+CH3COO]- 322.165981 195.5
[M+Na-2H]- 284.126796 162.7
[M]+ 263.15158142 162.8
[M]- 263.15267858 162.8
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.