CID 104056

(4-acetamidophenacyl)trimethylammonium chloride

Structural Information

Molecular Formula
C13H19N2O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)C[N+](C)(C)C
InChI
InChI=1S/C13H18N2O2/c1-10(16)14-12-7-5-11(6-8-12)13(17)9-15(2,3)4/h5-8H,9H2,1-4H3/p+1
InChIKey
OTJSVSVBJKDQRI-UHFFFAOYSA-O
Compound name
[2-(4-acetamidophenyl)-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.14465 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.15193 152.4
[M+Na]+ 258.13387 164.4
[M+NH4]+ 253.17847 160.6
[M+K]+ 274.10781 160.1
[M-H]- 234.13737 156.1
[M+Na-2H]- 256.11932 159.2
[M]+ 235.14410 155.4
[M]- 235.14520 155.4
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

No patent data available for this compound.