CID 10081333

149519-95-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCOC(=O)C[C@@H](C1=CN=CC=C1)N

InChI

InChI=1S/C10H14N2O2/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8/h3-5,7,9H,2,6,11H2,1H3/t9-/m0/s1

InChIKey

SUOOQSWLTJJSDK-VIFPVBQESA-N

Compound name

ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 194.10553 Da
Monoisotopic Mass: -0.1
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]+	195.112806	143.6
[M+Na]+	217.094748	149.4
[M-H]-	193.098254	145.0
[M+NH4]+	212.139353	160.9
[M+K]+	233.068688	148.2
[M+H-H2O]+	177.102790	136.3
[M+HCOO]-	239.103731	165.6
[M+CH3COO]-	253.119381	185.3
[M+Na-2H]-	215.080196	148.1
[M]+	194.10498142	143.4
[M]-	194.10607858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe