CID 54472560

Schembl6719571

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CNC(=O)C(=NOC)C1=CC=CC=C1CO

InChI

InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)

InChIKey

XJIRPXWWLNGHSS-UHFFFAOYSA-N

Compound name

2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 222.10045 Da
Monoisotopic Mass: 0.8
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]+	223.107726	148.9
[M+Na]+	245.089668	154.6
[M-H]-	221.093174	152.5
[M+NH4]+	240.134273	166.5
[M+K]+	261.063608	153.6
[M+H-H2O]+	205.097710	141.9
[M+HCOO]-	267.098651	173.9
[M+CH3COO]-	281.114301	193.2
[M+Na-2H]-	243.075116	153.4
[M]+	222.09990142	149.8
[M]-	222.10099858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe