CID 21149929

Brn 1433790

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCC1CN(CC1(C2=CC=CC=C2)OC(=O)CC)C
InChI
InChI=1S/C17H25NO2/c1-4-9-15-12-18(3)13-17(15,20-16(19)5-2)14-10-7-6-8-11-14/h6-8,10-11,15H,4-5,9,12-13H2,1-3H3
InChIKey
BCZKERQNIHDSQU-UHFFFAOYSA-N
Compound name
(1-methyl-3-phenyl-4-propylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.0
[M+Na]+ 298.17776 173.1
[M-H]- 274.18126 171.9
[M+NH4]+ 293.22236 185.7
[M+K]+ 314.15170 170.2
[M+H-H2O]+ 258.18580 159.8
[M+HCOO]- 320.18674 186.7
[M+CH3COO]- 334.20239 199.4
[M+Na-2H]- 296.16321 167.6
[M]+ 275.18799 168.2
[M]- 275.18909 168.2
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.