CID 97182229

Schembl26665539

Structural Information

Molecular Formula
C14H10N2
SMILES
C#CC1=C(C=CN=C1)/C=C/C2=CC=NC=C2
InChI
InChI=1S/C14H10N2/c1-2-13-11-16-10-7-14(13)4-3-12-5-8-15-9-6-12/h1,3-11H/b4-3+
InChIKey
JHZVYKSUIZTKPM-ONEGZZNKSA-N
Compound name
3-ethynyl-4-[(E)-2-pyridin-4-ylethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.0844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.091676 147.3
[M+Na]+ 229.073618 157.6
[M-H]- 205.077124 148.2
[M+NH4]+ 224.118223 161.0
[M+K]+ 245.047558 150.4
[M+H-H2O]+ 189.081660 132.2
[M+HCOO]- 251.082601 163.1
[M+CH3COO]- 265.098251 157.5
[M+Na-2H]- 227.059066 153.1
[M]+ 206.08385142 140.4
[M]- 206.08494858 140.4
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