CID 10398471

N-hydroxy-n-succinylcadaverine

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

3
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	151.1
[M+Na]+	241.11588	154.6
[M-H]-	217.11938	148.9
[M+NH4]+	236.16048	167.6
[M+K]+	257.08982	154.6
[M+H-H2O]+	201.12392	144.8
[M+HCOO]-	263.12486	172.1
[M+CH3COO]-	277.14051	191.3
[M+Na-2H]-	239.10133	151.6
[M]+	218.12611	151.2
[M]-	218.12721	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe