CID 44890915

886363-84-4

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

COC1=CC=CC=C1C(CN)N2CCC(C2)C(=O)O

InChI

InChI=1S/C14H20N2O3/c1-19-13-5-3-2-4-11(13)12(8-15)16-7-6-10(9-16)14(17)18/h2-5,10,12H,6-9,15H2,1H3,(H,17,18)

InChIKey

DMSZWLDMGGTLDP-UHFFFAOYSA-N

Compound name

1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 264.1474 Da
Monoisotopic Mass: -1.8
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]+	265.154676	161.8
[M+Na]+	287.136618	166.1
[M-H]-	263.140124	164.9
[M+NH4]+	282.181223	177.2
[M+K]+	303.110558	163.6
[M+H-H2O]+	247.144660	154.1
[M+HCOO]-	309.145601	180.4
[M+CH3COO]-	323.161251	196.5
[M+Na-2H]-	285.122066	160.6
[M]+	264.14685142	158.8
[M]-	264.14794858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe