CID 4118627

Boc-dl-homoserine

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: 677
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	149.2
[M+Na]+	242.09989	154.2
[M+NH4]+	237.14449	152.8
[M+K]+	258.07383	153.8
[M-H]-	218.10339	144.4
[M+Na-2H]-	240.08534	148.3
[M]+	219.11012	147.8
[M]-	219.11122	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe