CID 104056

52018-82-3

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 151.4
[M+Na]+ 258.13387 157.1
[M-H]- 234.13737 156.7
[M+NH4]+ 253.17847 169.3
[M+K]+ 274.10781 150.6
[M+H-H2O]+ 218.14191 147.9
[M+HCOO]- 280.14285 175.1
[M+CH3COO]- 294.15850 193.2
[M+Na-2H]- 256.11932 158.8
[M]+ 235.14410 151.4
[M]- 235.14520 151.4
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.