CID 95510

5005-36-7

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2
InChI
InChI=1S/C13H10N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H
InChIKey
CAXNYFPECZCGFK-UHFFFAOYSA-N
Compound name
2-phenyl-2-pyridin-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1858
Patents

194.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 147.5
[M+Na]+ 217.07362 161.8
[M+NH4]+ 212.11822 153.2
[M+K]+ 233.04756 150.6
[M-H]- 193.07712 144.6
[M+Na-2H]- 215.05907 155.0
[M]+ 194.08385 148.0
[M]- 194.08495 148.0
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