CID 154699490

Ns00117255

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₄

SMILES

CN(C(CC(C(=O)C1=CN=CC=C1)O)O)N=O

InChI

InChI=1S/C10H13N3O4/c1-13(12-17)9(15)5-8(14)10(16)7-3-2-4-11-6-7/h2-4,6,8-9,14-15H,5H2,1H3

InChIKey

ASZSQTMQLBGNKU-UHFFFAOYSA-N

Compound name

N-(1,3-dihydroxy-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0906 Da
Monoisotopic Mass: -0.3
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]+	240.097876	150.9
[M+Na]+	262.079818	155.2
[M-H]-	238.083324	153.0
[M+NH4]+	257.124423	165.7
[M+K]+	278.053758	156.0
[M+H-H2O]+	222.087860	142.9
[M+HCOO]-	284.088801	173.2
[M+CH3COO]-	298.104451	197.1
[M+Na-2H]-	260.065266	154.6
[M]+	239.09005142	151.9
[M]-	239.09114858	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.