CID 44171746

1,4-phenylenediacetamidoxime, aldrichcpr

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂

SMILES

C1=CC(=CC=C1C/C(=N/O)/N)C/C(=N/O)/N

InChI

InChI=1S/C10H14N4O2/c11-9(13-15)5-7-1-2-8(4-3-7)6-10(12)14-16/h1-4,15-16H,5-6H2,(H2,11,13)(H2,12,14)

InChIKey

POWAAUQSLKNYFI-UHFFFAOYSA-N

Compound name

2-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-N'-hydroxyethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.11168 Da
Monoisotopic Mass: 0.1
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]+	223.118956	148.7
[M+Na]+	245.100898	153.2
[M-H]-	221.104404	151.3
[M+NH4]+	240.145503	164.9
[M+K]+	261.074838	151.3
[M+H-H2O]+	205.108940	141.1
[M+HCOO]-	267.109881	174.5
[M+CH3COO]-	281.125531	197.7
[M+Na-2H]-	243.086346	152.2
[M]+	222.11113142	144.2
[M]-	222.11222858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.