CID 12296732

2-cyano-n-methyl-n-phenylacetamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

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

InChI

InChI=1S/C10H10N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

TYNMTKVSZGKSFB-UHFFFAOYSA-N

Compound name

2-cyano-N-methyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 174.07932 Da
Monoisotopic Mass: 1.0
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]+	175.08660	141.3
[M+Na]+	197.06854	152.4
[M+NH4]+	192.11314	146.1
[M+K]+	213.04248	143.3
[M-H]-	173.07204	136.5
[M+Na-2H]-	195.05399	145.6
[M]+	174.07877	140.6
[M]-	174.07987	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe