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

2642
Patents

194.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.091676 145.5
[M+Na]+ 217.073618 154.6
[M-H]- 193.077124 149.0
[M+NH4]+ 212.118223 160.9
[M+K]+ 233.047558 149.1
[M+H-H2O]+ 177.081660 130.9
[M+HCOO]- 239.082601 164.0
[M+CH3COO]- 253.098251 156.4
[M+Na-2H]- 215.059066 152.0
[M]+ 194.08385142 138.8
[M]- 194.08494858 138.8
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