CID 105456365

1785299-24-2

Structural Information

Molecular Formula

C₉H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C9H20N2O3/c1-8(2,3)14-7(12)11-6-9(4,13)5-10/h13H,5-6,10H2,1-4H3,(H,11,12)

InChIKey

VPRUETRGYFOOIY-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-2-hydroxy-2-methylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 204.1474 Da
Monoisotopic Mass: -0.4
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]+	205.15468	148.6
[M+Na]+	227.13662	153.4
[M-H]-	203.14012	147.0
[M+NH4]+	222.18122	166.4
[M+K]+	243.11056	153.3
[M+H-H2O]+	187.14466	143.9
[M+HCOO]-	249.14560	168.1
[M+CH3COO]-	263.16125	187.6
[M+Na-2H]-	225.12207	153.4
[M]+	204.14685	148.1
[M]-	204.14795	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe