CID 3063960

101866-74-4

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCC(=O)OC1(CCN(C1C)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-12-18(13(2)3)14(17)4/h6-10,13-14H,5,11-12H2,1-4H3
InChIKey
TZKMUTIJRAEZBG-UHFFFAOYSA-N
Compound name
(2-methyl-3-phenyl-1-propan-2-ylpyrrolidin-3-yl) 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 167.7
[M+Na]+ 298.17776 178.2
[M+NH4]+ 293.22236 176.4
[M+K]+ 314.15170 172.0
[M-H]- 274.18126 169.9
[M+Na-2H]- 296.16321 173.9
[M]+ 275.18799 169.8
[M]- 275.18909 169.8
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.