CID 89016

Tert-butyl (2r)-2-aminopropanoate

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

1
Annotation Hits: 2
References: 4034
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]+	146.11756	132.7
[M+Na]+	168.09950	140.7
[M+NH4]+	163.14410	139.4
[M+K]+	184.07344	138.0
[M-H]-	144.10300	131.0
[M+Na-2H]-	166.08495	134.9
[M]+	145.10973	133.1
[M]-	145.11083	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe