CID 152493606

N,n-dihydroxy-l-aspartate

Structural Information

Molecular Formula

SMILES

C([C@@H](C(=O)O)N(O)O)C(=O)O

InChI

InChI=1S/C4H7NO6/c6-3(7)1-2(4(8)9)5(10)11/h2,10-11H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1

InChIKey

YBYXZVYDFGHKQO-REOHCLBHSA-N

Compound name

(2S)-2-(dihydroxyamino)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.02734 Da
Monoisotopic Mass: -3.9
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]+	166.03462	129.7
[M+Na]+	188.01656	134.8
[M-H]-	164.02006	126.1
[M+NH4]+	183.06116	147.1
[M+K]+	203.99050	136.2
[M+H-H2O]+	148.02460	124.8
[M+HCOO]-	210.02554	148.4
[M+CH3COO]-	224.04119	173.0
[M+Na-2H]-	186.00201	131.4
[M]+	165.02679	128.3
[M]-	165.02789	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe