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

235
Patents

198.12828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.135556 146.6
[M+Na]+ 221.117498 154.1
[M-H]- 197.121004 152.1
[M+NH4]+ 216.162103 164.2
[M+K]+ 237.091438 144.6
[M+H-H2O]+ 181.125540 141.4
[M+HCOO]- 243.126481 169.3
[M+CH3COO]- 257.142131 179.5
[M+Na-2H]- 219.102946 156.1
[M]+ 198.12773142 145.4
[M]- 198.12882858 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