CID 46224091

4-[hydroxy(methyl)carbamoyl]butanoic acid

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

CN(C(=O)CCCC(=O)O)O

InChI

InChI=1S/C6H11NO4/c1-7(11)5(8)3-2-4-6(9)10/h11H,2-4H2,1H3,(H,9,10)

InChIKey

JFEAEEFTHWVOQX-UHFFFAOYSA-N

Compound name

5-[hydroxy(methyl)amino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 161.0688 Da
Monoisotopic Mass: -1.0
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]+	162.07608	133.3
[M+Na]+	184.05802	139.0
[M-H]-	160.06152	132.3
[M+NH4]+	179.10262	152.8
[M+K]+	200.03196	140.0
[M+H-H2O]+	144.06606	128.2
[M+HCOO]-	206.06700	155.0
[M+CH3COO]-	220.08265	177.6
[M+Na-2H]-	182.04347	136.3
[M]+	161.06825	134.2
[M]-	161.06935	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe