CID 10398471

3-[(5-aminopentyl)hydroxycarbamoyl] propanoate

Structural Information

Molecular Formula

C₉H₁₈N₂O₄

SMILES

C(CCN)CCN(C(=O)CCC(=O)O)O

InChI

InChI=1S/C9H18N2O4/c10-6-2-1-3-7-11(15)8(12)4-5-9(13)14/h15H,1-7,10H2,(H,13,14)

InChIKey

VUXMGAKZQBQIAH-UHFFFAOYSA-N

Compound name

4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 41
Patents: 218.12666 Da
Monoisotopic Mass: -3.5
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]+	219.13394	150.8
[M+Na]+	241.11588	155.4
[M+NH4]+	236.16048	154.8
[M+K]+	257.08982	153.5
[M-H]-	217.11938	147.6
[M+Na-2H]-	239.10133	150.1
[M]+	218.12611	149.7
[M]-	218.12721	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe