CID 9992180

172015-99-5

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCN(CC)C(=O)[C@]1(C[C@H]1CO)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c1-3-16(4-2)14(18)15(10-13(15)11-17)12-8-6-5-7-9-12/h5-9,13,17H,3-4,10-11H2,1-2H3/t13-,15+/m0/s1

InChIKey

MAQDDMBCAWKSAZ-DZGCQCFKSA-N

Compound name

cis-(1S,2R)-N,N-diethyl-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 247.15723 Da
Monoisotopic Mass: 1.6
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]+	248.164506	156.0
[M+Na]+	270.146448	163.3
[M-H]-	246.149954	163.4
[M+NH4]+	265.191053	170.2
[M+K]+	286.120388	161.2
[M+H-H2O]+	230.154490	149.9
[M+HCOO]-	292.155431	178.5
[M+CH3COO]-	306.171081	200.2
[M+Na-2H]-	268.131896	160.0
[M]+	247.15668142	160.2
[M]-	247.15777858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.