CID 43538678

Dtxsid80889274

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

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

InChI

InChI=1S/C8H17NO3/c1-6(7(11)12)4-9-8(2,3)5-10/h6,9-10H,4-5H2,1-3H3,(H,11,12)

InChIKey

HVRIIPPWKRKGBC-UHFFFAOYSA-N

Compound name

3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 175.12085 Da
Monoisotopic Mass: -2.5
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]+	176.128126	141.0
[M+Na]+	198.110068	145.8
[M-H]-	174.113574	138.3
[M+NH4]+	193.154673	159.4
[M+K]+	214.084008	145.4
[M+H-H2O]+	158.118110	136.5
[M+HCOO]-	220.119051	159.4
[M+CH3COO]-	234.134701	180.0
[M+Na-2H]-	196.095516	144.3
[M]+	175.12030142	140.1
[M]-	175.12139858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe