CID 4170354

175290-73-0

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

C1=CC(=O)N(C1=O)CCCCCC(=O)NN

InChI

InChI=1S/C10H15N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6H,1-4,7,11H2,(H,12,14)

InChIKey

FYWVFGAAKATOHN-UHFFFAOYSA-N

Compound name

6-(2,5-dioxopyrrol-1-yl)hexanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 689
Patents: 225.11134 Da
Monoisotopic Mass: 0.2
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]+	226.118616	149.6
[M+Na]+	248.100558	155.9
[M-H]-	224.104064	151.3
[M+NH4]+	243.145163	167.3
[M+K]+	264.074498	153.9
[M+H-H2O]+	208.108600	142.4
[M+HCOO]-	270.109541	173.4
[M+CH3COO]-	284.125191	192.8
[M+Na-2H]-	246.086006	151.2
[M]+	225.11079142	149.3
[M]-	225.11188858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe