CID 4192171

Tert-butyl 3-aminopropanoate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C)(C)OC(=O)CCN

InChI

InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3

InChIKey

ZJXHVYSDMUKUCA-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2535
Patents: 145.11028 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]+	146.11756	132.5
[M+Na]+	168.09950	140.8
[M+NH4]+	163.14410	139.3
[M+K]+	184.07344	137.3
[M-H]-	144.10300	131.0
[M+Na-2H]-	166.08495	135.1
[M]+	145.10973	133.0
[M]-	145.11083	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe