CID 199837

3-acetyl-1-benzylpyridinium chloride

Structural Information

Molecular Formula
C14H14NO
SMILES
CC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C14H14NO/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3/q+1
InChIKey
AZRPGYHDNLNRGH-UHFFFAOYSA-N
Compound name
1-(1-benzylpyridin-1-ium-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

212.10754 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11482 145.8
[M+Na]+ 235.09676 163.3
[M+NH4]+ 230.14136 155.9
[M+K]+ 251.07070 155.8
[M-H]- 211.10026 152.0
[M+Na-2H]- 233.08221 157.1
[M]+ 212.10699 150.6
[M]- 212.10809 150.6
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

patents stripe