CID 151417

Tert-butyl 2-aminoacetate

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

1
Annotation Hits: 16
References: 10298
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]+	132.10192	128.1
[M+Na]+	154.08386	136.6
[M+NH4]+	149.12846	135.1
[M+K]+	170.05780	133.3
[M-H]-	130.08736	126.7
[M+Na-2H]-	152.06931	131.0
[M]+	131.09409	128.6
[M]-	131.09519	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe