CID 151417

6456-74-2

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C)(C)OC(=O)CN

InChI

InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3

InChIKey

SJMDMGHPMLKLHQ-UHFFFAOYSA-N

Compound name

tert-butyl 2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 11040
Patents: 131.09464 Da
Monoisotopic Mass: 0.2
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]+	132.101916	128.4
[M+Na]+	154.083858	135.4
[M-H]-	130.087364	128.6
[M+NH4]+	149.128463	150.2
[M+K]+	170.057798	136.0
[M+H-H2O]+	114.091900	124.2
[M+HCOO]-	176.092841	150.8
[M+CH3COO]-	190.108491	174.0
[M+Na-2H]-	152.069306	134.0
[M]+	131.09409142	128.7
[M]-	131.09518858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe