CID 135491260

Nsc216984

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CC(=O)N/N=C/C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C10H12N2O3/c1-7(13)12-11-6-8-3-4-9(14)10(5-8)15-2/h3-6,14H,1-2H3,(H,12,13)/b11-6+

InChIKey

VZONUUGRJLXLJI-IZZDOVSWSA-N

Compound name

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.0848 Da
Monoisotopic Mass: 1.0
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]+	209.092076	143.5
[M+Na]+	231.074018	150.8
[M-H]-	207.077524	147.6
[M+NH4]+	226.118623	162.0
[M+K]+	247.047958	149.5
[M+H-H2O]+	191.082060	136.9
[M+HCOO]-	253.083001	169.8
[M+CH3COO]-	267.098651	190.5
[M+Na-2H]-	229.059466	149.1
[M]+	208.08425142	145.1
[M]-	208.08534858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.