CID 187888

55984-52-6

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

CN(CC(=O)C1=CC=CC=C1)N=O

InChI

InChI=1S/C9H10N2O2/c1-11(10-13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

AAFYOVPTFNNVDN-UHFFFAOYSA-N

Compound name

N-methyl-N-phenacylnitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1858
References: 0
Patents: 178.07423 Da
Monoisotopic Mass: 1.6
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]+	179.08151	135.7
[M+Na]+	201.06345	142.2
[M-H]-	177.06695	142.2
[M+NH4]+	196.10805	156.2
[M+K]+	217.03739	142.8
[M+H-H2O]+	161.07149	128.6
[M+HCOO]-	223.07243	164.2
[M+CH3COO]-	237.08808	190.3
[M+Na-2H]-	199.04890	143.0
[M]+	178.07368	138.1
[M]-	178.07478	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe