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: 108
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	132.2
[M+Na]+	170.07876	137.6
[M-H]-	146.08226	131.1
[M+NH4]+	165.12336	152.3
[M+K]+	186.05270	138.6
[M+H-H2O]+	130.08680	127.3
[M+HCOO]-	192.08774	153.4
[M+CH3COO]-	206.10339	177.1
[M+Na-2H]-	168.06421	135.0
[M]+	147.08899	132.4
[M]-	147.09009	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe