CID 63038885

Ethyl 2-amino-4-(tert-butoxy)butanoate

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CCOC(=O)C(CCOC(C)(C)C)N

InChI

InChI=1S/C10H21NO3/c1-5-13-9(12)8(11)6-7-14-10(2,3)4/h8H,5-7,11H2,1-4H3

InChIKey

DEOFTTGTTLMCOY-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.15215 Da
Monoisotopic Mass: 0.8
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]+	204.15943	149.8
[M+Na]+	226.14137	154.9
[M-H]-	202.14487	149.3
[M+NH4]+	221.18597	168.6
[M+K]+	242.11531	155.4
[M+H-H2O]+	186.14941	144.7
[M+HCOO]-	248.15035	170.1
[M+CH3COO]-	262.16600	189.1
[M+Na-2H]-	224.12682	152.2
[M]+	203.15160	152.5
[M]-	203.15270	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe