CID 5187990

(tert-butylamino)(oxo)acetic acid

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC(C)(C)NC(=O)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-6(2,3)7-4(8)5(9)10/h1-3H3,(H,7,8)(H,9,10)

InChIKey

BPCATNGVUSFCNY-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 145.0739 Da
Monoisotopic Mass: 0.5
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]+	146.081176	130.0
[M+Na]+	168.063118	136.7
[M-H]-	144.066624	129.4
[M+NH4]+	163.107723	150.6
[M+K]+	184.037058	137.1
[M+H-H2O]+	128.071160	126.0
[M+HCOO]-	190.072101	151.0
[M+CH3COO]-	204.087751	173.4
[M+Na-2H]-	166.048566	135.0
[M]+	145.07335142	129.4
[M]-	145.07444858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe