CID 112590553

3-{[2-(tert-butoxy)ethyl]amino}propanoic acid

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CC(C)(C)OCCNCCC(=O)O

InChI

InChI=1S/C9H19NO3/c1-9(2,3)13-7-6-10-5-4-8(11)12/h10H,4-7H2,1-3H3,(H,11,12)

InChIKey

IUQHTBIMPOJIJU-UHFFFAOYSA-N

Compound name

3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.13649 Da
Monoisotopic Mass: -2.1
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]+	190.143766	145.1
[M+Na]+	212.125708	150.3
[M-H]-	188.129214	143.7
[M+NH4]+	207.170313	163.9
[M+K]+	228.099648	150.0
[M+H-H2O]+	172.133750	140.2
[M+HCOO]-	234.134691	165.8
[M+CH3COO]-	248.150341	184.0
[M+Na-2H]-	210.111156	149.8
[M]+	189.13594142	147.2
[M]-	189.13703858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe