CID 4118627

38308-92-8

Structural Information

Molecular Formula

C₉H₁₇NO₅

SMILES

CC(C)(C)OC(=O)NC(CCO)C(=O)O

InChI

InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-6(4-5-11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)

InChIKey

PZEMWPDUXBZKJN-UHFFFAOYSA-N

Compound name

4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 699
Patents: 219.11067 Da
Monoisotopic Mass: 0.2
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]+	220.11795	149.4
[M+Na]+	242.09989	153.9
[M-H]-	218.10339	146.7
[M+NH4]+	237.14449	166.1
[M+K]+	258.07383	154.4
[M+H-H2O]+	202.10793	144.6
[M+HCOO]-	264.10887	167.3
[M+CH3COO]-	278.12452	185.3
[M+Na-2H]-	240.08534	151.3
[M]+	219.11012	150.3
[M]-	219.11122	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe