CID 212535

Trimethylphenacylammonium bromide

Structural Information

Molecular Formula

C₁₁H₁₆NO

SMILES

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

InChI

InChI=1S/C11H16NO/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1

InChIKey

MQCBZNRVDBSAEJ-UHFFFAOYSA-N

Compound name

trimethyl(phenacyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 178.12318 Da
Monoisotopic Mass: 1.7
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]+	179.13046	137.0
[M+Na]+	201.11240	143.6
[M-H]-	177.11590	142.3
[M+NH4]+	196.15700	157.6
[M+K]+	217.08634	137.2
[M+H-H2O]+	161.12044	134.2
[M+HCOO]-	223.12138	161.0
[M+CH3COO]-	237.13703	180.4
[M+Na-2H]-	199.09785	146.8
[M]+	178.12263	136.8
[M]-	178.12373	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe