CID 3062962

Alpha-(2-hydroxy-1-phenylethyl)-1-pyrrolidinepropanamide

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CCN(C1)CC(C(CO)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C15H22N2O2/c16-15(19)13(10-17-8-4-5-9-17)14(11-18)12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H2,16,19)
InChIKey
HGPWNRHQGPQJGW-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 164.1
[M+Na]+ 285.15734 166.0
[M-H]- 261.16084 166.4
[M+NH4]+ 280.20194 178.9
[M+K]+ 301.13128 163.2
[M+H-H2O]+ 245.16538 155.9
[M+HCOO]- 307.16632 181.2
[M+CH3COO]- 321.18197 195.8
[M+Na-2H]- 283.14279 162.5
[M]+ 262.16757 158.6
[M]- 262.16867 158.6
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.