CID 82721

1-phenethyl-2-picolinium bromide

Structural Information

Molecular Formula
C14H16N
SMILES
CC1=CC=CC=[N+]1CCC2=CC=CC=C2
InChI
InChI=1S/C14H16N/c1-13-7-5-6-11-15(13)12-10-14-8-3-2-4-9-14/h2-9,11H,10,12H2,1H3/q+1
InChIKey
WPBVJSPUBDVPPZ-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-phenylethyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

154
Patents

198.12828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13556 146.6
[M+Na]+ 221.11750 154.1
[M-H]- 197.12100 152.1
[M+NH4]+ 216.16210 164.2
[M+K]+ 237.09144 144.6
[M+H-H2O]+ 181.12554 141.4
[M+HCOO]- 243.12648 169.3
[M+CH3COO]- 257.14213 179.5
[M+Na-2H]- 219.10295 156.1
[M]+ 198.12773 145.4
[M]- 198.12883 145.4
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