CID 5311432

Sib 1893

Structural Information

Molecular Formula
C14H13N
SMILES
CC1=NC(=CC=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+
InChIKey
SISOFUCTXZKSOQ-ZHACJKMWSA-N
Compound name
2-methyl-6-[(E)-2-phenylethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

43
References

481
Patents

195.1048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.112076 142.8
[M+Na]+ 218.094018 150.9
[M-H]- 194.097524 148.1
[M+NH4]+ 213.138623 160.8
[M+K]+ 234.067958 146.2
[M+H-H2O]+ 178.102060 135.0
[M+HCOO]- 240.103001 166.1
[M+CH3COO]- 254.118651 184.4
[M+Na-2H]- 216.079466 150.4
[M]+ 195.10425142 142.0
[M]- 195.10534858 142.0
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