CID 205865

Ahr-1767

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCC(=O)OC(CC)(C1CCN(C1)C)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-4-16(19)20-17(5-2,14-9-7-6-8-10-14)15-11-12-18(3)13-15/h6-10,15H,4-5,11-13H2,1-3H3
InChIKey
GVNNTSYXCWHSKN-UHFFFAOYSA-N
Compound name
[1-(1-methylpyrrolidin-3-yl)-1-phenylpropyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.5
[M+Na]+ 298.17776 173.0
[M-H]- 274.18126 173.0
[M+NH4]+ 293.22236 184.9
[M+K]+ 314.15170 170.4
[M+H-H2O]+ 258.18580 160.9
[M+HCOO]- 320.18674 186.5
[M+CH3COO]- 334.20239 199.1
[M+Na-2H]- 296.16321 169.4
[M]+ 275.18799 168.5
[M]- 275.18909 168.5
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.