CID 69740

2-(2-ethenylphenyl)pyridine

Structural Information

Molecular Formula
C13H11N
SMILES
C=CC1=CC=CC=C1C2=CC=CC=N2
InChI
InChI=1S/C13H11N/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14-13/h2-10H,1H2
InChIKey
JXMVSGDHAJYYOB-UHFFFAOYSA-N
Compound name
2-(2-ethenylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

181.08914 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09642 137.9
[M+Na]+ 204.07836 146.3
[M-H]- 180.08186 143.3
[M+NH4]+ 199.12296 156.4
[M+K]+ 220.05230 141.9
[M+H-H2O]+ 164.08640 130.3
[M+HCOO]- 226.08734 161.6
[M+CH3COO]- 240.10299 151.4
[M+Na-2H]- 202.06381 146.1
[M]+ 181.08859 136.8
[M]- 181.08969 136.8
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