CID 64702171

2126160-83-4

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CC(C)(C)OC(=O)CC(C)(C)N

InChI

InChI=1S/C9H19NO2/c1-8(2,3)12-7(11)6-9(4,5)10/h6,10H2,1-5H3

InChIKey

CCQHRBBKEUWUGV-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 173.14159 Da
Monoisotopic Mass: 0.7
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]+	174.148866	141.0
[M+Na]+	196.130808	147.3
[M-H]-	172.134314	141.0
[M+NH4]+	191.175413	161.3
[M+K]+	212.104748	147.6
[M+H-H2O]+	156.138850	137.1
[M+HCOO]-	218.139791	160.9
[M+CH3COO]-	232.155441	183.6
[M+Na-2H]-	194.116256	146.1
[M]+	173.14104142	142.0
[M]-	173.14213858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe