CID 139919

2-(1-phenylethenyl)pyridine

Structural Information

Molecular Formula
C13H11N
SMILES
C=C(C1=CC=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C13H11N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-10H,1H2
InChIKey
WLFQFTSISRWCNV-UHFFFAOYSA-N
Compound name
2-(1-phenylethenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

181.08914 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09642 138.4
[M+Na]+ 204.07836 145.5
[M-H]- 180.08186 143.5
[M+NH4]+ 199.12296 156.5
[M+K]+ 220.05230 141.5
[M+H-H2O]+ 164.08640 130.6
[M+HCOO]- 226.08734 161.0
[M+CH3COO]- 240.10299 151.4
[M+Na-2H]- 202.06381 146.1
[M]+ 181.08859 136.3
[M]- 181.08969 136.3
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