CID 30025

Ruvazone

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₄

SMILES

CCOC1=CC=CC=C1C(=O)NN=C(C)C(=O)O

InChI

InChI=1S/C12H14N2O4/c1-3-18-10-7-5-4-6-9(10)11(15)14-13-8(2)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)

InChIKey

ACONNXZOJIHEHN-UHFFFAOYSA-N

Compound name

2-[(2-ethoxybenzoyl)hydrazinylidene]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 250.09535 Da
Monoisotopic Mass: 2.0
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]+	251.10263	155.1
[M+Na]+	273.08457	160.3
[M-H]-	249.08807	158.6
[M+NH4]+	268.12917	171.3
[M+K]+	289.05851	159.6
[M+H-H2O]+	233.09261	147.9
[M+HCOO]-	295.09355	179.2
[M+CH3COO]-	309.10920	198.5
[M+Na-2H]-	271.07002	158.0
[M]+	250.09480	156.5
[M]-	250.09590	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe