CID 11252445

31556-74-8

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

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

InChI

InChI=1S/C10H21NO2/c1-9(2,3)7(11)8(12)13-10(4,5)6/h7H,11H2,1-6H3/t7-/m1/s1

InChIKey

IGZORTGLYQDNMF-SSDOTTSWSA-N

Compound name

tert-butyl (2S)-2-amino-3,3-dimethylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 271
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	145.1
[M+Na]+	210.14645	150.9
[M-H]-	186.14995	145.1
[M+NH4]+	205.19105	164.9
[M+K]+	226.12039	151.4
[M+H-H2O]+	170.15449	141.2
[M+HCOO]-	232.15543	163.8
[M+CH3COO]-	246.17108	186.9
[M+Na-2H]-	208.13190	148.5
[M]+	187.15668	145.8
[M]-	187.15778	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe