CID 173834

Dtxsid40977388

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)COCN

InChI

InChI=1S/C9H12N2O2/c10-7-13-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)

InChIKey

MWACEKXDVMBCTK-UHFFFAOYSA-N

Compound name

2-(aminomethoxy)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.08987 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]+	181.097146	137.7
[M+Na]+	203.079088	143.3
[M-H]-	179.082594	140.6
[M+NH4]+	198.123693	156.5
[M+K]+	219.053028	141.9
[M+H-H2O]+	163.087130	130.9
[M+HCOO]-	225.088071	163.3
[M+CH3COO]-	239.103721	183.8
[M+Na-2H]-	201.064536	144.1
[M]+	180.08932142	136.5
[M]-	180.09041858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.