CID 3069916

85467-28-3

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CCOC(=O)[C@@]1(C[C@@H]1CN(C)CCO)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO3/c1-3-20-15(19)16(13-7-5-4-6-8-13)11-14(16)12-17(2)9-10-18/h4-8,14,18H,3,9-12H2,1-2H3/t14-,16+/m1/s1

InChIKey

FASFUZOMZPMGRO-ZBFHGGJFSA-N

Compound name

cis-ethyl (1R,2S)-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: 1.7
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	163.9
[M+Na]+	300.157018	170.7
[M-H]-	276.160524	171.0
[M+NH4]+	295.201623	176.8
[M+K]+	316.130958	168.8
[M+H-H2O]+	260.165060	157.5
[M+HCOO]-	322.166001	186.2
[M+CH3COO]-	336.181651	205.0
[M+Na-2H]-	298.142466	167.4
[M]+	277.16725142	169.8
[M]-	277.16834858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.