CID 65053619

2-[(1-amino-2-methylpropan-2-yl)oxy]acetic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(C)(CN)OCC(=O)O

InChI

InChI=1S/C6H13NO3/c1-6(2,4-7)10-3-5(8)9/h3-4,7H2,1-2H3,(H,8,9)

InChIKey

FNSFVSKKCIXJCC-UHFFFAOYSA-N

Compound name

2-(1-amino-2-methylpropan-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.08954 Da
Monoisotopic Mass: -2.9
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]+	148.09682	131.5
[M+Na]+	170.07876	137.8
[M-H]-	146.08226	130.0
[M+NH4]+	165.12336	151.6
[M+K]+	186.05270	137.9
[M+H-H2O]+	130.08680	127.1
[M+HCOO]-	192.08774	152.5
[M+CH3COO]-	206.10339	174.9
[M+Na-2H]-	168.06421	136.6
[M]+	147.08899	131.4
[M]-	147.09009	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe