CID 7183006

(isobutylamino)(oxo)acetic acid

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC(C)CNC(=O)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-4(2)3-7-5(8)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)

InChIKey

KTICXCJIBMTSRP-UHFFFAOYSA-N

Compound name

2-(2-methylpropylamino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 30
Patents: 145.0739 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]+	146.081176	131.1
[M+Na]+	168.063118	137.0
[M-H]-	144.066624	130.2
[M+NH4]+	163.107723	151.4
[M+K]+	184.037058	137.4
[M+H-H2O]+	128.071160	126.3
[M+HCOO]-	190.072101	152.5
[M+CH3COO]-	204.087751	174.8
[M+Na-2H]-	166.048566	133.9
[M]+	145.07335142	130.4
[M]-	145.07444858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe