CID 5474757

3,5-dimethyl-1-styrylpyridinium bromide

Structural Information

Molecular Formula
C15H16N
SMILES
CC1=CC(=C[N+](=C1)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C15H16N/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-12H,1-2H3/q+1/b9-8+
InChIKey
JGNRQJMXYOOOJU-CMDGGOBGSA-N
Compound name
3,5-dimethyl-1-[(E)-2-phenylethenyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.12828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13556 149.8
[M+Na]+ 233.11750 158.3
[M-H]- 209.12100 155.6
[M+NH4]+ 228.16210 167.3
[M+K]+ 249.09144 148.0
[M+H-H2O]+ 193.12554 144.8
[M+HCOO]- 255.12648 172.5
[M+CH3COO]- 269.14213 181.9
[M+Na-2H]- 231.10295 158.1
[M]+ 210.12773 148.6
[M]- 210.12883 148.6
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

No patent data available for this compound.