CID 1559747

2-methyl-1-(2-oxo-2-phenylethyl)pyridinium chloride

Structural Information

Molecular Formula
C14H14NO
SMILES
CC1=CC=CC=[N+]1CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1
InChIKey
ZPHBROYGBIQXLA-UHFFFAOYSA-N
Compound name
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

212.10754 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11482 149.1
[M+Na]+ 235.09676 156.5
[M-H]- 211.10026 154.8
[M+NH4]+ 230.14136 165.9
[M+K]+ 251.07070 147.4
[M+H-H2O]+ 195.10480 143.8
[M+HCOO]- 257.10574 171.3
[M+CH3COO]- 271.12139 181.1
[M+Na-2H]- 233.08221 157.4
[M]+ 212.10699 147.9
[M]- 212.10809 147.9
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