CID 3033803

105310-38-1

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O

SMILES

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

InChI

InChI=1S/C15H21ClN2O/c1-3-18(4-2)14(19)15(9-12(15)10-17)11-5-7-13(16)8-6-11/h5-8,12H,3-4,9-10,17H2,1-2H3/t12-,15+/m1/s1

InChIKey

NBBIANDDBKBHLU-DOMZBBRYSA-N

Compound name

cis-(1R,2S)-2-(aminomethyl)-1-(4-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.13425 Da
Monoisotopic Mass: 2.0
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]+	281.141526	160.3
[M+Na]+	303.123468	168.7
[M-H]-	279.126974	168.4
[M+NH4]+	298.168073	174.5
[M+K]+	319.097408	164.7
[M+H-H2O]+	263.131510	154.9
[M+HCOO]-	325.132451	180.1
[M+CH3COO]-	339.148101	209.4
[M+Na-2H]-	301.108916	163.1
[M]+	280.13370142	165.6
[M]-	280.13479858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.