CID 641098

4-styrylpyridine

Structural Information

Molecular Formula
C13H11N
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=NC=C2
InChI
InChI=1S/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H/b7-6+
InChIKey
QKHRGPYNTXRMSL-VOTSOKGWSA-N
Compound name
4-[(E)-2-phenylethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

276
Patents

181.08914 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.096416 138.4
[M+Na]+ 204.078358 145.9
[M-H]- 180.081864 143.4
[M+NH4]+ 199.122963 156.6
[M+K]+ 220.052298 141.5
[M+H-H2O]+ 164.086400 130.6
[M+HCOO]- 226.087341 162.1
[M+CH3COO]- 240.102991 151.6
[M+Na-2H]- 202.063806 147.3
[M]+ 181.08859142 136.8
[M]- 181.08968858 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

literature stripe

Patent stripe

patents stripe