CID 2747536

2-phenylmalonamide

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C9H10N2O2/c10-8(12)7(9(11)13)6-4-2-1-3-5-6/h1-5,7H,(H2,10,12)(H2,11,13)

InChIKey

CPSUAFUQJBJMPO-UHFFFAOYSA-N

Compound name

2-phenylpropanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 178.07423 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]+	179.08151	138.1
[M+Na]+	201.06345	143.5
[M-H]-	177.06695	140.7
[M+NH4]+	196.10805	156.5
[M+K]+	217.03739	142.1
[M+H-H2O]+	161.07149	131.7
[M+HCOO]-	223.07243	161.3
[M+CH3COO]-	237.08808	184.9
[M+Na-2H]-	199.04890	140.9
[M]+	178.07368	134.0
[M]-	178.07478	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe