CID 53736101

2-(3-phenylpyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C(C=C1)C2=C(N=CC=C2)CC#N
InChI
InChI=1S/C13H10N2/c14-9-8-13-12(7-4-10-15-13)11-5-2-1-3-6-11/h1-7,10H,8H2
InChIKey
CRGVWXVIMVMUDM-UHFFFAOYSA-N
Compound name
2-(3-phenyl-2-pyridinyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

194.0844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.091676 144.2
[M+Na]+ 217.073618 154.4
[M-H]- 193.077124 148.0
[M+NH4]+ 212.118223 160.0
[M+K]+ 233.047558 148.6
[M+H-H2O]+ 177.081660 129.7
[M+HCOO]- 239.082601 163.7
[M+CH3COO]- 253.098251 155.6
[M+Na-2H]- 215.059066 151.2
[M]+ 194.08385142 138.4
[M]- 194.08494858 138.4
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

patents stripe