CID 44225945

946511-97-3

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCC(CC)COC(=O)[C@H](C)N

InChI

InChI=1S/C9H19NO2/c1-4-8(5-2)6-12-9(11)7(3)10/h7-8H,4-6,10H2,1-3H3/t7-/m0/s1

InChIKey

BBDQDTSBXDTVIF-ZETCQYMHSA-N

Compound name

2-ethylbutyl (2S)-2-aminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 327
Patents: 173.14159 Da
Monoisotopic Mass: 1.7
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]+	174.148866	143.5
[M+Na]+	196.130808	148.3
[M-H]-	172.134314	143.0
[M+NH4]+	191.175413	163.3
[M+K]+	212.104748	148.6
[M+H-H2O]+	156.138850	138.1
[M+HCOO]-	218.139791	164.4
[M+CH3COO]-	232.155441	185.3
[M+Na-2H]-	194.116256	144.2
[M]+	173.14104142	144.2
[M]-	173.14213858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe