CID 90446

24293-73-0

Structural Information

Molecular Formula

C₁₁H₁₇N₂O

SMILES

C[N+](C)(C)CC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C11H16N2O/c1-13(2,3)8-11(14)9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3,(H-,12,14)/p+1

InChIKey

FUCCPFJAOOGRRI-UHFFFAOYSA-O

Compound name

[2-(4-aminophenyl)-2-oxoethyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 193.1341 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.14138	141.2
[M+Na]+	216.12332	154.1
[M+NH4]+	211.16792	150.5
[M+K]+	232.09726	149.2
[M-H]-	192.12682	145.8
[M+Na-2H]-	214.10877	149.0
[M]+	193.13355	144.6
[M]-	193.13465	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe