CID 3057781

74195-87-2

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CCC(=O)OC1(CCN(C1C)CCO)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO3/c1-3-15(19)20-16(14-7-5-4-6-8-14)9-10-17(11-12-18)13(16)2/h4-8,13,18H,3,9-12H2,1-2H3

InChIKey

ZHEPTIYRBLAGNT-UHFFFAOYSA-N

Compound name

[1-(2-hydroxyethyl)-2-methyl-3-phenylpyrrolidin-3-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.175076	166.2
[M+Na]+	300.157018	172.1
[M-H]-	276.160524	169.9
[M+NH4]+	295.201623	184.0
[M+K]+	316.130958	169.1
[M+H-H2O]+	260.165060	159.3
[M+HCOO]-	322.166001	184.9
[M+CH3COO]-	336.181651	195.9
[M+Na-2H]-	298.142466	167.0
[M]+	277.16725142	166.6
[M]-	277.16834858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.