CID 4529324

Propanoic acid, 2-(phenylhydrazono)-, methyl ester

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC(=NNC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C10H12N2O2/c1-8(10(13)14-2)11-12-9-6-4-3-5-7-9/h3-7,12H,1-2H3

InChIKey

JWJHXDFCGDENHL-UHFFFAOYSA-N

Compound name

methyl 2-(phenylhydrazinylidene)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 Da
Monoisotopic Mass: 2.4
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]+	193.097146	141.4
[M+Na]+	215.079088	147.1
[M-H]-	191.082594	146.3
[M+NH4]+	210.123693	160.7
[M+K]+	231.053028	146.6
[M+H-H2O]+	175.087130	134.4
[M+HCOO]-	237.088071	168.0
[M+CH3COO]-	251.103721	189.4
[M+Na-2H]-	213.064536	147.6
[M]+	192.08932142	142.0
[M]-	192.09041858	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.