CID 113868

64623-36-5

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]+ 264.15941 160.9
[M+Na]+ 286.14135 167.7
[M-H]- 262.14485 166.2
[M+NH4]+ 281.18595 180.0
[M+K]+ 302.11529 165.9
[M+H-H2O]+ 246.14939 153.9
[M+HCOO]- 308.15033 181.5
[M+CH3COO]- 322.16598 195.5
[M+Na-2H]- 284.12680 162.7
[M]+ 263.15158 162.8
[M]- 263.15268 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.