PubChemLite - Milnacipran (C15H22N2O)

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

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

InChI

InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1

InChIKey

GJJFMKBJSRMPLA-HIFRSBDPSA-N

Compound name

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

Related CIDs

2D Structure

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]+	247.18050	158.9
[M+Na]+	269.16244	170.6
[M+NH4]+	264.20704	168.7
[M+K]+	285.13638	164.1
[M-H]-	245.16594	170.1
[M+Na-2H]-	267.14789	169.3
[M]+	246.17267	164.9
[M]-	246.17377	164.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

247.18050

158.9

[M+Na]+

269.16244

170.6

[M+NH4]+

264.20704

168.7

[M+K]+

285.13638

164.1

[M-H]-

245.16594

170.1

[M+Na-2H]-

267.14789

169.3

[M]+

246.17267

164.9

[M]-

246.17377

164.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Milnacipran

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe