CID 45088165

(2s,3s)-2-(dimethylamino)-3-hydroxybutanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5-/m0/s1

InChIKey

CIVVRPHZRYVSCF-WHFBIAKZSA-N

Compound name

(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 Da
Monoisotopic Mass: -2.6
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]+	148.096816	132.2
[M+Na]+	170.078758	137.5
[M-H]-	146.082264	131.3
[M+NH4]+	165.123363	152.3
[M+K]+	186.052698	139.0
[M+H-H2O]+	130.086800	127.4
[M+HCOO]-	192.087741	152.4
[M+CH3COO]-	206.103391	178.1
[M+Na-2H]-	168.064206	133.8
[M]+	147.08899142	131.8
[M]-	147.09008858	131.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.