CID 1859591

Brn 4803005

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

C[C@@]1(CCOC[C@@H]1NCCCC(=O)O)O

InChI

InChI=1S/C10H19NO4/c1-10(14)4-6-15-7-8(10)11-5-2-3-9(12)13/h8,11,14H,2-7H2,1H3,(H,12,13)/t8-,10-/m0/s1

InChIKey

NBOLXVCIEVHCDF-WPRPVWTQSA-N

Compound name

4-[[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.13141 Da
Monoisotopic Mass: -3.0
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]+	218.138686	149.3
[M+Na]+	240.120628	153.2
[M-H]-	216.124134	150.0
[M+NH4]+	235.165233	166.5
[M+K]+	256.094568	153.0
[M+H-H2O]+	200.128670	144.2
[M+HCOO]-	262.129611	166.3
[M+CH3COO]-	276.145261	184.4
[M+Na-2H]-	238.106076	153.8
[M]+	217.13086142	146.6
[M]-	217.13195858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.