CID 55360

85467-80-7

Structural Information

Molecular Formula

C₁₅H₂₀FNO₂

SMILES

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

InChI

InChI=1S/C15H20FNO2/c1-4-19-14(18)15(9-12(15)10-17(2)3)11-5-7-13(16)8-6-11/h5-8,12H,4,9-10H2,1-3H3/t12-,15+/m1/s1

InChIKey

QFVUCTGVTNQNJX-DOMZBBRYSA-N

Compound name

cis-ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.1478 Da
Monoisotopic Mass: 2.5
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]+	266.155076	157.8
[M+Na]+	288.137018	166.3
[M-H]-	264.140524	165.5
[M+NH4]+	283.181623	172.2
[M+K]+	304.110958	164.6
[M+H-H2O]+	248.145060	150.5
[M+HCOO]-	310.146001	180.6
[M+CH3COO]-	324.161651	206.3
[M+Na-2H]-	286.122466	161.0
[M]+	265.14725142	163.0
[M]-	265.14834858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.