CID 89016

Tert-butyl l-alaninate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-5(8)6(9)10-7(2,3)4/h5H,8H2,1-4H3/t5-/m0/s1

InChIKey

TZHVYFBSLOMRCU-YFKPBYRVSA-N

Compound name

tert-butyl (2S)-2-aminopropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4655
Patents: 145.11028 Da
Monoisotopic Mass: 0.6
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]+	146.117556	132.9
[M+Na]+	168.099498	139.3
[M-H]-	144.103004	133.0
[M+NH4]+	163.144103	154.1
[M+K]+	184.073438	140.1
[M+H-H2O]+	128.107540	128.7
[M+HCOO]-	190.108481	154.0
[M+CH3COO]-	204.124131	178.0
[M+Na-2H]-	166.084946	136.8
[M]+	145.10973142	133.0
[M]-	145.11082858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe