CID 2812084

Hms1663p01

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃

SMILES

C1=CC(=C(N=C1)NNC(=O)CCC(=O)O)C#N

InChI

InChI=1S/C10H10N4O3/c11-6-7-2-1-5-12-10(7)14-13-8(15)3-4-9(16)17/h1-2,5H,3-4H2,(H,12,14)(H,13,15)(H,16,17)

InChIKey

DRXORRQYDIIHTN-UHFFFAOYSA-N

Compound name

4-[2-(3-cyano-2-pyridinyl)hydrazinyl]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 234.07529 Da
Monoisotopic Mass: 0.4
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]+	235.082566	153.0
[M+Na]+	257.064508	159.9
[M-H]-	233.068014	153.1
[M+NH4]+	252.109113	165.8
[M+K]+	273.038448	158.1
[M+H-H2O]+	217.072550	138.6
[M+HCOO]-	279.073491	171.5
[M+CH3COO]-	293.089141	203.6
[M+Na-2H]-	255.049956	156.8
[M]+	234.07474142	146.7
[M]-	234.07583858	146.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.