CID 54042543

Tert-butyl 2-[(butan-2-yl)amino]acetate

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CCC(C)NCC(=O)OC(C)(C)C

InChI

InChI=1S/C10H21NO2/c1-6-8(2)11-7-9(12)13-10(3,4)5/h8,11H,6-7H2,1-5H3

InChIKey

LNIUBWCOBIFOKW-UHFFFAOYSA-N

Compound name

tert-butyl 2-(butan-2-ylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.15723 Da
Monoisotopic Mass: 2.0
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]+	188.16451	146.5
[M+Na]+	210.14645	151.6
[M-H]-	186.14995	146.6
[M+NH4]+	205.19105	166.3
[M+K]+	226.12039	152.0
[M+H-H2O]+	170.15449	141.6
[M+HCOO]-	232.15543	167.2
[M+CH3COO]-	246.17108	187.8
[M+Na-2H]-	208.13190	149.9
[M]+	187.15668	148.7
[M]-	187.15778	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe