CID 91132

24168-42-1

Structural Information

Molecular Formula
C13H11N
SMILES
CC(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H11N/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3
InChIKey
VQRBAFPBJMOCCK-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

181.08914 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.096416 143.2
[M+Na]+ 204.078358 153.8
[M-H]- 180.081864 147.0
[M+NH4]+ 199.122963 162.2
[M+K]+ 220.052298 147.9
[M+H-H2O]+ 164.086400 130.9
[M+HCOO]- 226.087341 161.9
[M+CH3COO]- 240.102991 155.1
[M+Na-2H]- 202.063806 149.8
[M]+ 181.08859142 137.9
[M]- 181.08968858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe