CID 237032

4-(dimethylamino)-3-hydroxybutanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CN(C)CC(CC(=O)O)O

InChI

InChI=1S/C6H13NO3/c1-7(2)4-5(8)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)

InChIKey

NXDDNODAJKZARA-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-3-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 103
Patents: 147.08954 Da
Monoisotopic Mass: -3.1
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]+	148.09682	131.7
[M+Na]+	170.07876	139.0
[M+NH4]+	165.12336	137.8
[M+K]+	186.05270	136.7
[M-H]-	146.08226	129.6
[M+Na-2H]-	168.06421	133.2
[M]+	147.08899	131.6
[M]-	147.09009	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe