CID 55272455

1268520-78-0

Structural Information

Molecular Formula

C₉H₂₀N₂O₂

SMILES

C[C@@H](CN)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C9H20N2O2/c1-7(6-10)11(5)8(12)13-9(2,3)4/h7H,6,10H2,1-5H3/t7-/m0/s1

InChIKey

NVUWUDUEKXDLAG-ZETCQYMHSA-N

Compound name

tert-butyl N-[(2S)-1-aminopropan-2-yl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 188.15248 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]+	189.15976	145.5
[M+Na]+	211.14170	151.9
[M+NH4]+	206.18630	151.5
[M+K]+	227.11564	149.6
[M-H]-	187.14520	144.2
[M+Na-2H]-	209.12715	147.0
[M]+	188.15193	145.6
[M]-	188.15303	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe