CID 87182

17609-47-1

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCOC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C7H15NO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4,8H2,1-3H3/t6-/m0/s1

InChIKey

BQIVJVAZDJHDJF-LURJTMIESA-N

Compound name

ethyl (2S)-2-amino-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1653
Patents: 145.11028 Da
Monoisotopic Mass: 0.9
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]+	146.11756	134.1
[M+Na]+	168.09950	139.8
[M-H]-	144.10300	133.9
[M+NH4]+	163.14410	155.0
[M+K]+	184.07344	140.6
[M+H-H2O]+	128.10754	129.2
[M+HCOO]-	190.10848	155.7
[M+CH3COO]-	204.12413	179.3
[M+Na-2H]-	166.08495	135.9
[M]+	145.10973	134.1
[M]-	145.11083	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe