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]+ 211.086596 150.9
[M+Na]+ 233.068538 161.4
[M-H]- 209.072044 154.8
[M+NH4]+ 228.113143 168.5
[M+K]+ 249.042478 155.9
[M+H-H2O]+ 193.076580 138.2
[M+HCOO]- 255.077521 170.6
[M+CH3COO]- 269.093171 201.8
[M+Na-2H]- 231.053986 156.8
[M]+ 210.07877142 145.7
[M]- 210.07986858 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.