CID 296343

N-(4-cyano-1-naphthyl)acetamide

Structural Information

Molecular Formula
C13H10N2O
SMILES
CC(=O)NC1=CC=C(C2=CC=CC=C21)C#N
InChI
InChI=1S/C13H10N2O/c1-9(16)15-13-7-6-10(8-14)11-4-2-3-5-12(11)13/h2-7H,1H3,(H,15,16)
InChIKey
COZOJWLUNAGFJN-UHFFFAOYSA-N
Compound name
N-(4-cyanonaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 150.9
[M+Na]+ 233.06854 161.4
[M-H]- 209.07204 154.8
[M+NH4]+ 228.11314 168.5
[M+K]+ 249.04248 155.9
[M+H-H2O]+ 193.07658 138.2
[M+HCOO]- 255.07752 170.6
[M+CH3COO]- 269.09317 201.8
[M+Na-2H]- 231.05399 156.8
[M]+ 210.07877 145.7
[M]- 210.07987 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.